data_2obu_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 2obu _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 ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.222 -0.358 0 CA-C-O 117.903 -1.046 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.514 -0.425 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 118.045 -0.979 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.56 91.05 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.01 -36.93 73.37 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.25 -11.79 1.76 Allowed Glycine 0 C--N 1.354 1.561 0 CA-C-O 116.657 -2.19 . . . . 0.0 115.046 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m -41.93 -45.3 3.71 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.786 2.793 . . . . 0.0 111.427 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.28 70.88 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.14 19.94 1.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.541 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -143.72 -59.81 0.4 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.743 1.61 . . . . 0.0 109.615 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.56 -21.57 14.49 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-O 117.365 -1.797 . . . . 0.0 113.292 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 50.0 1.59 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.197 1.999 . . . . 0.0 108.797 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -64.24 -53.18 53.2 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.79 -36.86 17.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.049 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -75.8 -43.24 47.22 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.843 0.747 . . . . 0.0 110.67 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.447 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 53.2 p-90 46.99 43.15 13.48 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -171.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 41.72 59.26 2.54 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.793 0.683 . . . . 0.0 110.975 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 57.0 t-80 -161.52 -54.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.295 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.74 -37.31 68.29 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.968 -1.015 . . . . 0.0 108.305 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 tt -34.45 128.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.473 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.0 p -100.17 -41.95 6.9 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.073 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.862 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.64 163.23 0.13 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.465 0.575 . . . . 0.0 111.868 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.29 -35.98 74.74 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -8.65 1.79 Allowed Glycine 0 C--N 1.355 1.6 0 CA-C-O 116.3 -2.389 . . . . 0.0 115.266 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -46.77 -50.81 17.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.976 2.888 . . . . 0.0 109.759 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.83 83.2 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -98.64 33.47 2.27 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.542 0.61 . . . . 0.0 110.896 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -142.67 -61.27 0.44 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.07 -22.03 12.21 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 117.716 -1.602 . . . . 0.0 113.065 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.33 51.32 1.07 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.943 1.872 . . . . 0.0 109.154 176.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -52.54 48.16 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -52.48 -35.44 52.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -81.79 -38.59 25.36 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.89 0.768 . . . . 0.0 111.403 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.466 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 41.1 p-90 46.07 45.32 12.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.319 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.8 54.31 4.69 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 123.592 0.558 . . . . 0.0 110.747 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 51.1 t60 -163.06 -56.38 0.04 OUTLIER 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.524 -0.751 . . . . 0.0 111.752 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -51.49 -34.11 34.34 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.147 0.885 . . . . 0.0 109.748 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tp -41.82 139.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -73.49 177.99 4.94 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.166 0.894 . . . . 0.0 110.161 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.355 0.825 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.5 p90 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 118.344 -0.836 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.79 34.49 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.098 -0.953 . . . . 0.0 108.59 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.49 -37.73 87.14 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.787 1.176 . . . . 0.0 108.325 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -20.68 2.15 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 116.92 -2.044 . . . . 0.0 114.618 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p -38.63 -50.45 1.61 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.914 2.357 . . . . 0.0 111.488 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.7 83.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.49 9.78 1.6 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.484 -1.246 . . . . 0.0 113.375 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -138.1 -55.12 0.65 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.939 1.7 . . . . 0.0 109.99 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.77 -22.41 62.01 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.995 -2.003 . . . . 0.0 112.381 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -108.83 -38.67 5.55 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.689 1.744 . . . . 0.0 111.608 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 -61.32 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 122.411 2.368 . . . . 0.0 108.691 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -58.18 -29.42 65.62 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.475 0.58 . . . . 0.0 110.431 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.627 ' HD2' ' N ' ' A' ' 40' ' ' ILE . 15.8 t70 -78.0 -31.11 50.44 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.614 174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . 0.306 27.6 p-90 52.92 43.67 31.34 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 118.456 0.571 . . . . 0.0 110.836 -174.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 46.23 44.63 12.44 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 123.964 0.79 . . . . 0.0 112.92 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -172.01 -51.36 0.02 OUTLIER 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.836 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -45.08 -32.49 1.76 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.42 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.627 ' N ' ' HD2' ' A' ' 35' ' ' ASP . 9.2 tp -38.14 141.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.766 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -128.42 -49.41 1.29 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.847 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.357 0.907 0 CA-C-N 121.038 1.744 . . . . 0.0 107.989 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.116 -0.945 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.05 151.83 0.12 Allowed 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.786 0.679 . . . . 0.0 110.19 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.63 -37.32 86.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.04 -20.52 2.0 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.773 -2.126 . . . . 0.0 114.263 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -42.48 -41.4 2.93 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.051 2.425 . . . . 0.0 112.316 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.08 73.43 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -104.4 47.48 0.87 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.889 0.768 . . . . 0.0 109.711 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -148.32 -63.27 0.25 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.41 -20.42 16.47 Favored Glycine 0 C--N 1.357 1.732 0 CA-C-O 117.767 -1.574 . . . . 0.0 112.693 175.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.56 47.64 1.19 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.736 1.768 . . . . 0.0 109.623 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -46.2 22.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -52.94 -35.17 58.32 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.307 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.82 -27.79 30.65 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.622 1.101 . . . . 0.0 111.725 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.451 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 40.5 p-90 52.39 44.12 30.21 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.385 0.993 . . . . 0.0 110.369 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.627 ' HZ3' ' HB3' ' A' ' 37' ' ' LYS . 5.0 mtpm? 51.0 48.17 23.57 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.829 0.705 . . . . 0.0 110.151 168.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 29.5 t60 -169.54 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.06 -172.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 40' ' ' ILE . 57.4 t-20 -53.27 -37.83 62.5 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.551 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -22.5 107.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 124.829 1.331 . . . . 0.0 110.255 178.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.0 p -82.27 -68.48 0.7 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.923 0.783 . . . . 0.0 109.546 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -176.399 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.31 160.19 0.23 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 123.603 0.565 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.94 -38.97 83.96 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.85 -23.92 1.69 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-O 117.105 -1.942 . . . . 0.0 114.199 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m -38.31 -50.17 1.45 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.583 2.192 . . . . 0.0 112.361 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.97 63.19 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -87.48 63.53 7.7 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -169.39 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.41 -44.3 93.63 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.846 -1.53 . . . . 0.0 110.866 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 24.54 12.85 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 118.455 1.127 . . . . 0.0 111.876 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -92.67 -56.05 3.16 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -56.65 -35.07 67.94 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.056 0.844 . . . . 0.0 109.43 176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.94 -41.87 61.38 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.612 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.7 p-90 44.83 50.62 8.76 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -169.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.05 56.04 1.25 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 48.7 t-80 -156.92 -58.36 0.09 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.14 -0.933 . . . . 0.0 111.668 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -55.03 -38.64 68.22 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.095 1.316 . . . . 0.0 108.754 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 tt -33.4 131.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.082 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 p -86.63 155.86 20.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.319 0.963 . . . . 0.0 108.934 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.354 0.797 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.08 151.03 37.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.676 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.162 0.892 . . . . 0.0 108.671 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.93 -21.86 1.82 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.64 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -42.84 -40.11 2.77 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.99 2.395 . . . . 0.0 112.636 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.73 74.51 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -89.41 48.5 1.62 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -163.48 -61.82 0.04 OUTLIER 'General case' 0 C--N 1.356 0.867 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.58 -25.17 8.51 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.397 -1.779 . . . . 0.0 113.279 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -53.31 2.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.272 1.536 . . . . 0.0 109.961 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.28 -46.93 62.63 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.697 1.59 . . . . 0.0 109.245 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -27.39 48.91 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.657 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -53.92 -61.26 2.42 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.814 1.643 . . . . 0.0 108.834 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -25.24 39.54 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.586 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 32.42 49.3 0.14 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.266 1.394 . . . . 0.0 112.217 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -103.02 -46.85 4.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.361 -175.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -48.33 -28.99 3.48 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.845 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -43.0 125.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-O 117.0 -1.476 . . . . 0.0 108.824 177.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 t 48.81 179.35 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.813 1.188 . . . . 0.0 113.132 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.355 0.826 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.805 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.72 145.01 35.9 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.55 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.24 -40.92 81.84 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.31 -21.0 2.58 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 117.105 -1.942 . . . . 0.0 113.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m -41.1 -48.4 3.33 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.704 2.252 . . . . 0.0 111.805 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.37 66.74 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -90.66 24.46 2.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.373 1.442 . . . . 0.0 111.172 174.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -160.87 -43.42 0.04 OUTLIER 'General case' 0 C--N 1.357 0.91 0 CA-C-N 121.138 1.79 . . . . 0.0 113.557 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.17 -71.82 0.69 Allowed Glycine 0 C--N 1.354 1.58 0 CA-C-N 122.648 2.476 . . . . 0.0 108.258 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.96 77.21 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 117.955 0.878 . . . . 0.0 112.0 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -81.62 -33.88 31.22 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.174 0.897 . . . . 0.0 112.122 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -9.02 40.91 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.324 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.39 -62.85 1.57 Allowed 'General case' 0 C--N 1.358 0.937 0 CA-C-N 121.684 2.038 . . . . 0.0 106.846 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -24.21 56.65 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.627 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 34.99 49.56 0.41 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.075 1.307 . . . . 0.0 112.002 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -106.92 -48.06 3.58 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.829 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -46.62 -33.39 4.15 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.789 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.23 144.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.779 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -151.59 -51.83 0.12 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.581 -1.2 . . . . 0.0 111.301 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.356 0.887 0 CA-C-N 120.612 1.551 . . . . 0.0 111.282 172.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.96 167.13 0.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 118.617 0.644 . . . . 0.0 110.941 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.22 145.69 30.84 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 117.775 -1.107 . . . . 0.0 108.91 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.49 -32.09 7.97 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.189 -1.339 . . . . 0.0 110.331 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -55.15 -40.26 70.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.62 1.71 . . . . 0.0 110.261 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.23 81.76 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -86.57 21.99 2.01 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.953 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -141.05 -62.27 0.48 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.05 1.296 . . . . 0.0 108.496 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -13.96 1.06 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 116.649 -2.195 . . . . 0.0 114.432 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -128.75 -56.7 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.763 2.282 . . . . 0.0 110.305 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -57.91 -43.68 86.36 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.681 1.128 . . . . 0.0 109.712 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.92 -19.26 48.49 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.305 -1.331 . . . . 0.0 110.839 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.71 -63.9 1.12 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.57 1.986 . . . . 0.0 107.994 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.37 59.77 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.0 112.234 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt 35.09 45.65 0.18 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.356 1.434 . . . . 0.0 111.888 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -102.04 -46.78 4.76 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.926 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -47.43 -32.96 5.54 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.584 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.3 tp -40.42 137.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.553 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.3 p -88.9 -65.61 1.0 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.374 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 118.104 -0.95 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.65 165.48 0.23 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.678 0.672 . . . . 0.0 112.047 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.93 151.01 31.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.383 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.61 -34.36 5.52 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -58.23 -46.18 86.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.767 1.283 . . . . 0.0 109.442 174.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.84 81.15 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -83.45 63.7 7.46 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.3 0.375 . . . . 0.0 110.012 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS 0.262 0.0 OUTLIER 173.06 -48.64 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 171.454 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.81 94.3 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 120.313 1.415 . . . . 0.0 110.21 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -52.0 2.9 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 117.692 0.746 . . . . 0.0 109.204 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.67 -44.33 63.02 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.623 -0.703 . . . . 0.0 111.236 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -60.94 -32.15 71.67 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.117 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' ASN . 53.6 t0 -39.19 -45.9 1.4 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.263 0.938 . . . . 0.0 110.05 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.5 p90 -95.59 -49.3 5.45 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.309 173.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 54.14 83.66 0.07 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.112 1.323 . . . . 0.0 110.796 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -164.97 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.266 0.939 . . . . 0.0 110.785 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . 3.7 t30 -41.54 -39.33 1.54 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.522 -1.228 . . . . 0.0 111.087 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -22.79 103.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 124.782 1.301 . . . . 0.0 111.012 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -66.95 -47.94 70.1 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 110.467 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.767 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 CA--C 1.509 -0.596 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.78 36.13 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.735 -0.65 . . . . 0.0 110.312 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.31 -40.67 97.99 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.55 2.75 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 117.079 -1.956 . . . . 0.0 114.128 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m -42.22 -47.02 4.63 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.858 2.329 . . . . 0.0 111.741 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.23 75.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.27 21.06 1.48 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.88 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -154.78 -52.26 0.09 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 120.759 1.618 . . . . 0.0 111.019 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.49 -42.62 51.31 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 121.774 2.079 . . . . 0.0 111.185 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -98.62 -51.85 3.8 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.097 0.948 . . . . 0.0 108.853 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -50.07 -44.65 51.86 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.807 0.731 . . . . 0.0 111.069 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.9 t30 -71.06 -33.09 69.93 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.415 -1.279 . . . . 0.0 110.946 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ASN . 17.7 t70 -37.83 -46.37 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.734 1.152 . . . . 0.0 110.572 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -96.28 -43.58 7.63 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.857 -1.068 . . . . 0.0 111.0 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm 59.38 81.73 0.16 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.935 1.243 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -164.1 -52.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.676 0.671 . . . . 0.0 111.256 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -45.13 -34.37 2.63 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.799 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.09 123.7 10.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t 45.51 -161.07 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.776 1.171 . . . . 0.0 112.313 -177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.075 0.852 . . . . 0.0 110.61 178.825 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.87 83.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.125 0.875 . . . . 0.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -59.31 -36.99 76.64 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.63 -17.92 2.3 Favored Glycine 0 C--N 1.354 1.572 0 CA-C-O 116.833 -2.093 . . . . 0.0 114.423 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -44.29 -39.04 4.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.388 2.594 . . . . 0.0 112.45 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 -13.82 61.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.18 -12.0 59.97 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 116.94 -1.505 . . . . 0.0 111.449 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLY . 88.7 tttt -151.39 -53.49 0.13 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 120.879 1.672 . . . . 0.0 113.423 -169.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -29.84 -50.95 0.16 Allowed Glycine 0 C--N 1.357 1.73 0 CA-C-N 119.808 1.186 . . . . 0.0 113.41 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -154.84 49.1 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.174 0.987 . . . . 0.0 109.49 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -91.35 -61.23 1.7 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.143 -172.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.88 -32.2 52.42 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.593 1.088 . . . . 0.0 110.242 -177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.03 -43.84 42.17 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.334 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.417 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 49.9 p-90 48.64 53.38 12.32 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.638 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.38 56.36 0.66 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.91 0.756 . . . . 0.0 111.465 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 74.4 t60 -158.26 -56.99 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.376 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -53.71 -34.72 59.76 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.97 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -42.26 130.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.004 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 t -91.59 167.54 12.15 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.476 1.034 . . . . 0.0 111.182 -173.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.05 149.68 22.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.782 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.1 -40.61 85.86 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.304 0.956 . . . . 0.0 108.468 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.78 -12.45 2.59 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 116.818 -2.101 . . . . 0.0 115.126 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p -50.51 -37.3 38.23 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.645 2.723 . . . . 0.0 110.935 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.98 78.76 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -87.8 38.72 0.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.893 175.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.77 -61.81 0.21 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.23 -0.891 . . . . 0.0 108.852 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.16 -60.14 4.73 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 120.535 1.516 . . . . 0.0 112.018 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.22 26.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.037 -0.982 . . . . 0.0 112.454 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HZ3' HG12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -75.26 -53.88 8.03 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.222 1.374 . . . . 0.0 108.394 -178.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' ASP . 22.1 t-20 -50.1 -34.68 22.74 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.455 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' ASN . 16.7 t70 -37.26 -49.96 0.97 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.31 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.6 p90 -90.9 -48.69 6.86 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.604 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 52.36 89.52 0.03 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.53 1.059 . . . . 0.0 110.075 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -165.45 -47.72 0.03 OUTLIER 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.531 1.059 . . . . 0.0 111.978 -174.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -43.53 -42.41 4.97 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.357 0.98 . . . . 0.0 110.561 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.639 HG12 ' HZ3' ' A' ' 33' ' ' LYS . 7.4 mm -57.04 139.39 16.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -74.77 84.97 2.16 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 . . . . . 0 C--N 1.355 0.846 0 CA-C-O 121.296 0.57 . . . . 0.0 109.906 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 146.62 27.78 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.749 -1.12 . . . . 0.0 108.64 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.96 -38.76 76.61 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.603 1.092 . . . . 0.0 108.841 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.04 -17.77 2.57 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.803 -2.109 . . . . 0.0 114.316 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t -42.88 -40.42 2.92 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.259 2.529 . . . . 0.0 112.571 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.08 97.9 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -83.44 65.42 8.37 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER 165.74 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.387 174.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.46 -77.42 0.37 Allowed Glycine 0 C--N 1.354 1.572 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.34 66.33 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.603 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -52.06 7.44 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -20.91 60.83 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.575 -1.202 . . . . 0.0 110.273 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.55 -67.37 0.29 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.652 1.569 . . . . 0.0 108.487 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.01 -23.28 52.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.854 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 tptt 33.97 54.3 0.55 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.178 1.353 . . . . 0.0 111.577 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.76 -51.36 2.92 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.313 -171.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -66.69 -57.39 7.25 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 tp 32.94 55.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 123.634 0.584 . . . . 0.0 110.127 -174.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.3 p 49.08 -96.72 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.756 -1.116 . . . . 0.0 109.654 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.897 1.226 . . . . 0.0 110.223 177.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.48 83.28 1.18 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -95.25 49.68 1.22 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.71 -3.37 77.44 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-O 117.107 -1.941 . . . . 0.0 111.711 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -72.83 -41.99 64.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.886 2.343 . . . . 0.0 108.995 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.06 66.94 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -88.44 57.66 4.33 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.57 -60.85 0.03 OUTLIER 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.4 -45.89 58.34 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 117.883 -1.509 . . . . 0.0 110.983 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 14.59 22.4 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.775 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -54.67 5.91 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -50.87 -35.85 34.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.436 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -80.06 -39.82 28.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.055 0.843 . . . . 0.0 112.287 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.441 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 36.5 p-90 43.23 40.72 2.6 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -172.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.31 54.35 4.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.649 0.593 . . . . 0.0 112.091 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 43.9 t60 -157.82 -58.88 0.08 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.083 -1.047 . . . . 0.0 112.598 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -23.03 34.69 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.556 1.071 . . . . 0.0 111.245 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.4 mm -68.12 101.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 t -147.01 159.94 42.97 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.768 -1.11 . . . . 0.0 108.705 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 C--N 1.354 0.783 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 118.211 -0.9 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.84 142.47 28.8 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.084 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.363 0.983 . . . . 0.0 108.746 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -6.63 1.15 Allowed Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.283 -2.398 . . . . 0.0 115.724 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -51.15 -37.75 48.07 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 122.339 3.069 . . . . 0.0 110.599 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.09 92.89 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -99.5 47.8 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 118.463 0.574 . . . . 0.0 109.483 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.66 -65.55 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.44 -26.4 37.49 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 117.247 -1.863 . . . . 0.0 112.265 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 -43.43 5.14 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.483 1.641 . . . . 0.0 110.73 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -70.5 -56.8 5.73 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.855 1.662 . . . . 0.0 109.328 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.88 -28.95 67.98 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.366 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -79.71 -24.14 41.88 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.652 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 49.78 60.39 3.83 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.124 0.875 . . . . 0.0 111.078 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm 52.83 39.47 28.98 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.96 0.788 . . . . 0.0 109.246 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 58.85 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.782 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ILE . 2.1 t30 -133.01 -43.9 0.87 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.748 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ASN . 23.2 mt -31.4 134.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 120.451 1.478 . . . . 0.0 110.589 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 t -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.895 1.225 . . . . 0.0 109.713 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--N 1.354 0.767 0 CA-C-N 118.9 0.773 . . . . 0.0 109.615 176.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.78 168.53 26.57 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.467 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 145.72 52.65 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 175.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -35.06 5.3 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -173.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -56.9 -47.27 80.91 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.043 1.421 . . . . 0.0 109.307 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.07 28.85 0.68 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -138.03 43.22 2.23 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.098 1.317 . . . . 0.0 107.605 173.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 157.35 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.315 -176.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.29 -58.16 9.28 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -157.13 45.64 0.39 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.726 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.04 -54.03 4.01 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.42 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -56.75 -32.58 65.73 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.508 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -84.73 -33.47 23.08 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.544 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 48.2 p-90 48.45 41.26 16.53 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 0.714 . . . . 0.0 112.036 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 51.6 51.42 16.75 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 62.3 t-80 -161.79 -54.97 0.05 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.715 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -54.36 -24.74 20.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.13 96.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.928 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--N 1.358 0.949 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.48 71.42 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.75 -25.66 2.37 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 117.591 -1.672 . . . . 0.0 113.218 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -42.13 -48.29 4.74 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.096 1.948 . . . . 0.0 111.698 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.91 73.9 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -91.15 38.55 0.97 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.071 0.85 . . . . 0.0 111.341 174.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -143.34 -61.82 0.41 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.48 -21.18 48.23 Favored Glycine 0 C--N 1.356 1.689 0 CA-C-O 117.488 -1.729 . . . . 0.0 112.959 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 47.73 1.18 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.15 1.975 . . . . 0.0 109.678 177.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -52.59 12.57 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -52.07 -36.01 49.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.158 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.37 -30.99 37.93 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.184 -0.913 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 51.78 69.81 0.62 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.032 0.833 . . . . 0.0 110.392 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm 51.24 36.63 16.47 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.166 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 52.58 -92.68 0.03 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.495 -173.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -136.26 47.42 2.21 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 120.481 1.491 . . . . 0.0 110.326 -175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.2 mm -124.09 137.77 55.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -95.35 68.93 3.06 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 163.18 25.97 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -81.09 51.36 1.57 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.796 1.18 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.39 -4.72 85.77 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 117.076 -1.958 . . . . 0.0 111.343 175.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m -64.26 -50.87 66.22 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 2.438 . . . . 0.0 109.304 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.78 77.27 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -104.69 56.13 0.71 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -162.82 -57.18 0.04 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.045 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.24 -62.13 6.7 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -26.58 65.67 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.224 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -86.46 -50.78 6.63 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.567 1.53 . . . . 0.0 111.269 -170.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -59.27 -33.42 71.04 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.293 0.951 . . . . 0.0 108.768 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.45 -41.36 69.53 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.473 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.435 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.6 p-90 44.53 50.57 8.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -169.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.29 55.81 1.35 Allowed 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.206 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 68.5 t60 -154.64 -58.86 0.11 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.181 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.21 -35.63 65.09 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.132 1.333 . . . . 0.0 109.079 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 tp -33.03 135.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 124.421 1.076 . . . . 0.0 111.679 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -166.82 -47.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.128 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 . . . . . 0 C--N 1.357 0.917 0 CA-C-N 120.527 1.512 . . . . 0.0 110.301 176.134 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.92 165.76 27.13 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.65 148.04 50.01 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.63 -32.15 7.84 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -61.69 -47.57 84.71 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.923 1.361 . . . . 0.0 107.97 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.36 96.55 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -100.89 48.03 0.91 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -151.43 -65.22 0.18 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.19 -28.22 41.55 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 117.491 -1.727 . . . . 0.0 111.95 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -103.18 -42.25 5.82 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.255 1.527 . . . . 0.0 110.549 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -70.48 -55.71 8.32 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.826 1.648 . . . . 0.0 109.027 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.3 -32.81 68.79 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.846 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -77.94 -25.07 48.05 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.357 -0.83 . . . . 0.0 111.661 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 52.58 61.46 3.18 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.851 0.75 . . . . 0.0 110.856 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 51.23 42.29 28.74 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 50.3 -121.04 1.63 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.516 -1.706 . . . . 0.0 109.212 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -91.37 -10.69 40.24 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.369 1.895 . . . . 0.0 112.147 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -69.18 144.71 13.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-N 120.474 1.488 . . . . 0.0 107.162 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -108.12 149.17 28.84 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.355 0.837 0 CA-C-N 119.28 0.945 . . . . 0.0 109.983 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 118.497 -0.764 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.67 165.59 0.84 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.992 0.815 . . . . 0.0 110.797 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 52.59 42.32 31.43 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.017 0.826 . . . . 0.0 108.781 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.84 -28.61 25.76 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.116 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -50.99 -41.59 59.75 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.101 1.951 . . . . 0.0 112.259 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.37 70.91 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -84.96 24.12 1.11 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.791 -1.1 . . . . 0.0 111.499 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -145.98 -61.69 0.32 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.483 1.492 . . . . 0.0 109.479 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.72 -28.39 1.1 Allowed Glycine 0 C--N 1.354 1.583 0 CA-C-O 117.452 -1.749 . . . . 0.0 114.541 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 -50.46 1.84 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.278 1.539 . . . . 0.0 110.972 177.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -51.75 -41.68 61.76 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.651 1.569 . . . . 0.0 109.515 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.52 -22.24 30.24 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.461 -1.256 . . . . 0.0 111.527 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -60.74 2.93 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.821 2.1 . . . . 0.0 108.516 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -28.49 55.78 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.115 -1.421 . . . . 0.0 112.354 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 tptt 35.36 46.27 0.25 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 112.044 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -99.75 -49.98 4.19 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -43.83 -35.11 1.8 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.204 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 tp -45.83 140.67 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 117.608 -1.186 . . . . 0.0 110.026 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 t -65.4 -49.25 69.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.515 1.507 . . . . 0.0 109.18 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.353 0.738 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.692 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.222 -0.358 0 CA-C-O 117.903 -1.046 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.514 -0.425 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 118.045 -0.979 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.56 91.05 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.01 -36.93 73.37 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.25 -11.79 1.76 Allowed Glycine 0 C--N 1.354 1.561 0 CA-C-O 116.657 -2.19 . . . . 0.0 115.046 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m -41.93 -45.3 3.71 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.786 2.793 . . . . 0.0 111.427 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.28 70.88 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.14 19.94 1.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.541 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -143.72 -59.81 0.4 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.743 1.61 . . . . 0.0 109.615 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.56 -21.57 14.49 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-O 117.365 -1.797 . . . . 0.0 113.292 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 50.0 1.59 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.197 1.999 . . . . 0.0 108.797 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -64.24 -53.18 53.2 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.79 -36.86 17.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.049 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -75.8 -43.24 47.22 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.843 0.747 . . . . 0.0 110.67 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.447 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 53.2 p-90 46.99 43.15 13.48 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -171.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 41.72 59.26 2.54 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.793 0.683 . . . . 0.0 110.975 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 57.0 t-80 -161.52 -54.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.295 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.74 -37.31 68.29 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.968 -1.015 . . . . 0.0 108.305 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 tt -34.45 128.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.473 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.0 p -100.17 -41.95 6.9 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.073 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.862 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.64 163.23 0.13 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.465 0.575 . . . . 0.0 111.868 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.29 -35.98 74.74 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -8.65 1.79 Allowed Glycine 0 C--N 1.355 1.6 0 CA-C-O 116.3 -2.389 . . . . 0.0 115.266 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -46.77 -50.81 17.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.976 2.888 . . . . 0.0 109.759 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.83 83.2 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -98.64 33.47 2.27 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.542 0.61 . . . . 0.0 110.896 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -142.67 -61.27 0.44 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.07 -22.03 12.21 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 117.716 -1.602 . . . . 0.0 113.065 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.33 51.32 1.07 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.943 1.872 . . . . 0.0 109.154 176.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -52.54 48.16 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -52.48 -35.44 52.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -81.79 -38.59 25.36 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.89 0.768 . . . . 0.0 111.403 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 46.07 45.32 12.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.319 -174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.8 54.31 4.69 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 123.592 0.558 . . . . 0.0 110.747 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -163.06 -56.38 0.04 OUTLIER 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.524 -0.751 . . . . 0.0 111.752 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -51.49 -34.11 34.34 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.147 0.885 . . . . 0.0 109.748 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tp -41.82 139.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -73.49 177.99 4.94 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.166 0.894 . . . . 0.0 110.161 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.355 0.825 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.5 p90 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 118.344 -0.836 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.79 34.49 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.098 -0.953 . . . . 0.0 108.59 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.49 -37.73 87.14 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.787 1.176 . . . . 0.0 108.325 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -20.68 2.15 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 116.92 -2.044 . . . . 0.0 114.618 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p -38.63 -50.45 1.61 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.914 2.357 . . . . 0.0 111.488 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.7 83.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.49 9.78 1.6 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.484 -1.246 . . . . 0.0 113.375 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -138.1 -55.12 0.65 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.939 1.7 . . . . 0.0 109.99 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.77 -22.41 62.01 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.995 -2.003 . . . . 0.0 112.381 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -108.83 -38.67 5.55 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.689 1.744 . . . . 0.0 111.608 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 -61.32 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 122.411 2.368 . . . . 0.0 108.691 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -58.18 -29.42 65.62 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.475 0.58 . . . . 0.0 110.431 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.0 -31.11 50.44 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.614 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . 0.306 27.6 p-90 52.92 43.67 31.34 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 118.456 0.571 . . . . 0.0 110.836 -174.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 46.23 44.63 12.44 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 123.964 0.79 . . . . 0.0 112.92 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -172.01 -51.36 0.02 OUTLIER 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.836 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -45.08 -32.49 1.76 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.42 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.2 tp -38.14 141.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -128.42 -49.41 1.29 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.847 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.357 0.907 0 CA-C-N 121.038 1.744 . . . . 0.0 107.989 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.116 -0.945 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.05 151.83 0.12 Allowed 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.786 0.679 . . . . 0.0 110.19 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.63 -37.32 86.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.04 -20.52 2.0 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.773 -2.126 . . . . 0.0 114.263 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -42.48 -41.4 2.93 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.051 2.425 . . . . 0.0 112.316 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.08 73.43 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -104.4 47.48 0.87 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.889 0.768 . . . . 0.0 109.711 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -148.32 -63.27 0.25 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.41 -20.42 16.47 Favored Glycine 0 C--N 1.357 1.732 0 CA-C-O 117.767 -1.574 . . . . 0.0 112.693 175.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.56 47.64 1.19 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.736 1.768 . . . . 0.0 109.623 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -46.2 22.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -52.94 -35.17 58.32 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.307 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.82 -27.79 30.65 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.622 1.101 . . . . 0.0 111.725 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 52.39 44.12 30.21 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.385 0.993 . . . . 0.0 110.369 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? 51.0 48.17 23.57 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.829 0.705 . . . . 0.0 110.151 168.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -169.54 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.06 -172.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 40' ' ' ILE . 57.4 t-20 -53.27 -37.83 62.5 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.551 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -22.5 107.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 124.829 1.331 . . . . 0.0 110.255 178.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.0 p -82.27 -68.48 0.7 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.923 0.783 . . . . 0.0 109.546 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -176.399 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.31 160.19 0.23 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 123.603 0.565 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.94 -38.97 83.96 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.85 -23.92 1.69 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-O 117.105 -1.942 . . . . 0.0 114.199 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m -38.31 -50.17 1.45 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.583 2.192 . . . . 0.0 112.361 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.97 63.19 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -87.48 63.53 7.7 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -169.39 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.41 -44.3 93.63 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.846 -1.53 . . . . 0.0 110.866 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 24.54 12.85 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 118.455 1.127 . . . . 0.0 111.876 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -92.67 -56.05 3.16 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -56.65 -35.07 67.94 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.056 0.844 . . . . 0.0 109.43 176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.94 -41.87 61.38 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.612 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.7 p-90 44.83 50.62 8.76 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -169.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.05 56.04 1.25 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 48.7 t-80 -156.92 -58.36 0.09 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.14 -0.933 . . . . 0.0 111.668 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -55.03 -38.64 68.22 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.095 1.316 . . . . 0.0 108.754 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 tt -33.4 131.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.082 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 p -86.63 155.86 20.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.319 0.963 . . . . 0.0 108.934 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.354 0.797 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.08 151.03 37.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.676 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.162 0.892 . . . . 0.0 108.671 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.93 -21.86 1.82 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.64 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -42.84 -40.11 2.77 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.99 2.395 . . . . 0.0 112.636 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.73 74.51 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -89.41 48.5 1.62 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -163.48 -61.82 0.04 OUTLIER 'General case' 0 C--N 1.356 0.867 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.58 -25.17 8.51 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.397 -1.779 . . . . 0.0 113.279 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -53.31 2.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.272 1.536 . . . . 0.0 109.961 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.28 -46.93 62.63 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.697 1.59 . . . . 0.0 109.245 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -27.39 48.91 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.657 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -53.92 -61.26 2.42 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.814 1.643 . . . . 0.0 108.834 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -25.24 39.54 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.586 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 32.42 49.3 0.14 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.266 1.394 . . . . 0.0 112.217 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -103.02 -46.85 4.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.361 -175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -48.33 -28.99 3.48 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.845 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -43.0 125.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-O 117.0 -1.476 . . . . 0.0 108.824 177.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 t 48.81 179.35 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.813 1.188 . . . . 0.0 113.132 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.355 0.826 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.805 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.72 145.01 35.9 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.55 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.24 -40.92 81.84 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.31 -21.0 2.58 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 117.105 -1.942 . . . . 0.0 113.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m -41.1 -48.4 3.33 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.704 2.252 . . . . 0.0 111.805 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.37 66.74 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -90.66 24.46 2.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.373 1.442 . . . . 0.0 111.172 174.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -160.87 -43.42 0.04 OUTLIER 'General case' 0 C--N 1.357 0.91 0 CA-C-N 121.138 1.79 . . . . 0.0 113.557 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.17 -71.82 0.69 Allowed Glycine 0 C--N 1.354 1.58 0 CA-C-N 122.648 2.476 . . . . 0.0 108.258 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.96 77.21 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 117.955 0.878 . . . . 0.0 112.0 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -81.62 -33.88 31.22 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.174 0.897 . . . . 0.0 112.122 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -9.02 40.91 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.324 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.39 -62.85 1.57 Allowed 'General case' 0 C--N 1.358 0.937 0 CA-C-N 121.684 2.038 . . . . 0.0 106.846 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -24.21 56.65 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.627 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 34.99 49.56 0.41 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.075 1.307 . . . . 0.0 112.002 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -106.92 -48.06 3.58 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.829 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -46.62 -33.39 4.15 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.789 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.23 144.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.779 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -151.59 -51.83 0.12 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.581 -1.2 . . . . 0.0 111.301 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.356 0.887 0 CA-C-N 120.612 1.551 . . . . 0.0 111.282 172.882 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.96 167.13 0.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 118.617 0.644 . . . . 0.0 110.941 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.22 145.69 30.84 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 117.775 -1.107 . . . . 0.0 108.91 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.49 -32.09 7.97 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.189 -1.339 . . . . 0.0 110.331 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -55.15 -40.26 70.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.62 1.71 . . . . 0.0 110.261 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.23 81.76 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -86.57 21.99 2.01 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.953 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -141.05 -62.27 0.48 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.05 1.296 . . . . 0.0 108.496 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -13.96 1.06 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 116.649 -2.195 . . . . 0.0 114.432 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -128.75 -56.7 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.763 2.282 . . . . 0.0 110.305 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -57.91 -43.68 86.36 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.681 1.128 . . . . 0.0 109.712 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.92 -19.26 48.49 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.305 -1.331 . . . . 0.0 110.839 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.71 -63.9 1.12 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.57 1.986 . . . . 0.0 107.994 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.37 59.77 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.0 112.234 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt 35.09 45.65 0.18 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.356 1.434 . . . . 0.0 111.888 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -102.04 -46.78 4.76 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.926 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -47.43 -32.96 5.54 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.584 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.3 tp -40.42 137.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.553 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.3 p -88.9 -65.61 1.0 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.374 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 118.104 -0.95 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.65 165.48 0.23 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.678 0.672 . . . . 0.0 112.047 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.93 151.01 31.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.383 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.61 -34.36 5.52 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -58.23 -46.18 86.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.767 1.283 . . . . 0.0 109.442 174.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.84 81.15 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -83.45 63.7 7.46 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.3 0.375 . . . . 0.0 110.012 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 173.06 -48.64 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 171.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.81 94.3 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 120.313 1.415 . . . . 0.0 110.21 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -52.0 2.9 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 117.692 0.746 . . . . 0.0 109.204 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.67 -44.33 63.02 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.623 -0.703 . . . . 0.0 111.236 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -60.94 -32.15 71.67 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.117 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' ASN . 53.6 t0 -39.19 -45.9 1.4 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.263 0.938 . . . . 0.0 110.05 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.5 p90 -95.59 -49.3 5.45 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.309 173.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 54.14 83.66 0.07 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.112 1.323 . . . . 0.0 110.796 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -164.97 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.266 0.939 . . . . 0.0 110.785 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . 3.7 t30 -41.54 -39.33 1.54 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.522 -1.228 . . . . 0.0 111.087 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -22.79 103.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 124.782 1.301 . . . . 0.0 111.012 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -66.95 -47.94 70.1 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 110.467 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.767 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 CA--C 1.509 -0.596 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.78 36.13 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.735 -0.65 . . . . 0.0 110.312 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.31 -40.67 97.99 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.55 2.75 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 117.079 -1.956 . . . . 0.0 114.128 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m -42.22 -47.02 4.63 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.858 2.329 . . . . 0.0 111.741 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.23 75.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.27 21.06 1.48 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.88 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -154.78 -52.26 0.09 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 120.759 1.618 . . . . 0.0 111.019 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.49 -42.62 51.31 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 121.774 2.079 . . . . 0.0 111.185 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -98.62 -51.85 3.8 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.097 0.948 . . . . 0.0 108.853 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -50.07 -44.65 51.86 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.807 0.731 . . . . 0.0 111.069 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.9 t30 -71.06 -33.09 69.93 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.415 -1.279 . . . . 0.0 110.946 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ASN . 17.7 t70 -37.83 -46.37 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.734 1.152 . . . . 0.0 110.572 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -96.28 -43.58 7.63 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.857 -1.068 . . . . 0.0 111.0 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm 59.38 81.73 0.16 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.935 1.243 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -164.1 -52.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.676 0.671 . . . . 0.0 111.256 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -45.13 -34.37 2.63 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.799 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.09 123.7 10.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t 45.51 -161.07 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.776 1.171 . . . . 0.0 112.313 -177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.075 0.852 . . . . 0.0 110.61 178.825 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.87 83.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.125 0.875 . . . . 0.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -59.31 -36.99 76.64 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.63 -17.92 2.3 Favored Glycine 0 C--N 1.354 1.572 0 CA-C-O 116.833 -2.093 . . . . 0.0 114.423 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -44.29 -39.04 4.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.388 2.594 . . . . 0.0 112.45 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 -13.82 61.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.18 -12.0 59.97 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 116.94 -1.505 . . . . 0.0 111.449 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLY . 88.7 tttt -151.39 -53.49 0.13 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 120.879 1.672 . . . . 0.0 113.423 -169.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -29.84 -50.95 0.16 Allowed Glycine 0 C--N 1.357 1.73 0 CA-C-N 119.808 1.186 . . . . 0.0 113.41 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -154.84 49.1 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.174 0.987 . . . . 0.0 109.49 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -91.35 -61.23 1.7 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.143 -172.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.88 -32.2 52.42 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.593 1.088 . . . . 0.0 110.242 -177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.03 -43.84 42.17 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.334 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.417 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 49.9 p-90 48.64 53.38 12.32 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.638 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.38 56.36 0.66 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.91 0.756 . . . . 0.0 111.465 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 51.3 t-80 -158.26 -56.99 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.376 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -53.71 -34.72 59.76 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.97 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -42.26 130.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.004 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 t -91.59 167.54 12.15 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.476 1.034 . . . . 0.0 111.182 -173.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.814 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.05 149.68 22.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.782 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.1 -40.61 85.86 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.304 0.956 . . . . 0.0 108.468 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.78 -12.45 2.59 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 116.818 -2.101 . . . . 0.0 115.126 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p -50.51 -37.3 38.23 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.645 2.723 . . . . 0.0 110.935 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.98 78.76 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -87.8 38.72 0.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.893 175.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.77 -61.81 0.21 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.23 -0.891 . . . . 0.0 108.852 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.16 -60.14 4.73 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 120.535 1.516 . . . . 0.0 112.018 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.22 26.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.037 -0.982 . . . . 0.0 112.454 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -53.88 8.03 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.222 1.374 . . . . 0.0 108.394 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' ASP . 22.1 t-20 -50.1 -34.68 22.74 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.455 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' ASN . 16.7 t70 -37.26 -49.96 0.97 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.31 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.6 p90 -90.9 -48.69 6.86 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.604 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 52.36 89.52 0.03 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.53 1.059 . . . . 0.0 110.075 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -165.45 -47.72 0.03 OUTLIER 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.531 1.059 . . . . 0.0 111.978 -174.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -43.53 -42.41 4.97 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.357 0.98 . . . . 0.0 110.561 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 mm -57.04 139.39 16.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -74.77 84.97 2.16 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 . . . . . 0 C--N 1.355 0.846 0 CA-C-O 121.296 0.57 . . . . 0.0 109.906 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 146.62 27.78 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.749 -1.12 . . . . 0.0 108.64 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.96 -38.76 76.61 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.603 1.092 . . . . 0.0 108.841 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.04 -17.77 2.57 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.803 -2.109 . . . . 0.0 114.316 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t -42.88 -40.42 2.92 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.259 2.529 . . . . 0.0 112.571 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.08 97.9 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -83.44 65.42 8.37 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER 165.74 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.387 174.088 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.46 -77.42 0.37 Allowed Glycine 0 C--N 1.354 1.572 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.34 66.33 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.603 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -52.06 7.44 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -20.91 60.83 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.575 -1.202 . . . . 0.0 110.273 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.55 -67.37 0.29 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.652 1.569 . . . . 0.0 108.487 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.01 -23.28 52.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.854 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 tptt 33.97 54.3 0.55 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.178 1.353 . . . . 0.0 111.577 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.76 -51.36 2.92 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.313 -171.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -66.69 -57.39 7.25 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 tp 32.94 55.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 123.634 0.584 . . . . 0.0 110.127 -174.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.3 p 49.08 -96.72 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.756 -1.116 . . . . 0.0 109.654 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.897 1.226 . . . . 0.0 110.223 177.731 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.48 83.28 1.18 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -95.25 49.68 1.22 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.71 -3.37 77.44 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-O 117.107 -1.941 . . . . 0.0 111.711 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -72.83 -41.99 64.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.886 2.343 . . . . 0.0 108.995 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.06 66.94 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -88.44 57.66 4.33 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.57 -60.85 0.03 OUTLIER 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.4 -45.89 58.34 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 117.883 -1.509 . . . . 0.0 110.983 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 14.59 22.4 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.775 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -54.67 5.91 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -50.87 -35.85 34.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.436 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -80.06 -39.82 28.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.055 0.843 . . . . 0.0 112.287 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 43.23 40.72 2.6 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.31 54.35 4.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.649 0.593 . . . . 0.0 112.091 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -157.82 -58.88 0.08 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.083 -1.047 . . . . 0.0 112.598 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -23.03 34.69 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.556 1.071 . . . . 0.0 111.245 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.4 mm -68.12 101.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 t -147.01 159.94 42.97 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.768 -1.11 . . . . 0.0 108.705 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 C--N 1.354 0.783 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 118.211 -0.9 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.84 142.47 28.8 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.084 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.363 0.983 . . . . 0.0 108.746 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -6.63 1.15 Allowed Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.283 -2.398 . . . . 0.0 115.724 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -51.15 -37.75 48.07 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 122.339 3.069 . . . . 0.0 110.599 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.09 92.89 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -99.5 47.8 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 118.463 0.574 . . . . 0.0 109.483 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.66 -65.55 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.44 -26.4 37.49 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 117.247 -1.863 . . . . 0.0 112.265 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 -43.43 5.14 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.483 1.641 . . . . 0.0 110.73 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -70.5 -56.8 5.73 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.855 1.662 . . . . 0.0 109.328 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.88 -28.95 67.98 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.366 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -79.71 -24.14 41.88 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.652 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 49.78 60.39 3.83 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.124 0.875 . . . . 0.0 111.078 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm 52.83 39.47 28.98 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.96 0.788 . . . . 0.0 109.246 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 58.85 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.782 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ILE . 2.1 t30 -133.01 -43.9 0.87 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.748 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ASN . 23.2 mt -31.4 134.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 120.451 1.478 . . . . 0.0 110.589 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 t -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.895 1.225 . . . . 0.0 109.713 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--N 1.354 0.767 0 CA-C-N 118.9 0.773 . . . . 0.0 109.615 176.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.78 168.53 26.57 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.467 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 145.72 52.65 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 175.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -35.06 5.3 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -173.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -56.9 -47.27 80.91 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.043 1.421 . . . . 0.0 109.307 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.07 28.85 0.68 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -138.03 43.22 2.23 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.098 1.317 . . . . 0.0 107.605 173.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 157.35 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.315 -176.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.29 -58.16 9.28 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -157.13 45.64 0.39 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.726 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.04 -54.03 4.01 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.42 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -56.75 -32.58 65.73 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.508 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -84.73 -33.47 23.08 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.544 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 48.2 p-90 48.45 41.26 16.53 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 0.714 . . . . 0.0 112.036 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 51.6 51.42 16.75 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 62.3 t-80 -161.79 -54.97 0.05 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.715 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -54.36 -24.74 20.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.13 96.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.928 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--N 1.358 0.949 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.48 71.42 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.75 -25.66 2.37 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 117.591 -1.672 . . . . 0.0 113.218 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -42.13 -48.29 4.74 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.096 1.948 . . . . 0.0 111.698 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.91 73.9 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -91.15 38.55 0.97 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.071 0.85 . . . . 0.0 111.341 174.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -143.34 -61.82 0.41 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.48 -21.18 48.23 Favored Glycine 0 C--N 1.356 1.689 0 CA-C-O 117.488 -1.729 . . . . 0.0 112.959 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 47.73 1.18 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.15 1.975 . . . . 0.0 109.678 177.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -52.59 12.57 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -52.07 -36.01 49.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.158 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.37 -30.99 37.93 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.184 -0.913 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 51.78 69.81 0.62 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.032 0.833 . . . . 0.0 110.392 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm 51.24 36.63 16.47 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.166 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t60 52.58 -92.68 0.03 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.495 -173.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -136.26 47.42 2.21 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 120.481 1.491 . . . . 0.0 110.326 -175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.2 mm -124.09 137.77 55.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -95.35 68.93 3.06 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 163.18 25.97 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -81.09 51.36 1.57 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.796 1.18 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.39 -4.72 85.77 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 117.076 -1.958 . . . . 0.0 111.343 175.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m -64.26 -50.87 66.22 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 2.438 . . . . 0.0 109.304 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.78 77.27 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -104.69 56.13 0.71 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -162.82 -57.18 0.04 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.045 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.24 -62.13 6.7 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -26.58 65.67 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.224 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -86.46 -50.78 6.63 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.567 1.53 . . . . 0.0 111.269 -170.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -59.27 -33.42 71.04 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.293 0.951 . . . . 0.0 108.768 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.45 -41.36 69.53 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.473 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.435 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.6 p-90 44.53 50.57 8.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -169.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.29 55.81 1.35 Allowed 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.206 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 54.4 t-80 -154.64 -58.86 0.11 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.181 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.21 -35.63 65.09 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.132 1.333 . . . . 0.0 109.079 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 tp -33.03 135.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 124.421 1.076 . . . . 0.0 111.679 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -166.82 -47.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.128 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 . . . . . 0 C--N 1.357 0.917 0 CA-C-N 120.527 1.512 . . . . 0.0 110.301 176.134 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.92 165.76 27.13 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.65 148.04 50.01 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.63 -32.15 7.84 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -61.69 -47.57 84.71 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.923 1.361 . . . . 0.0 107.97 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.36 96.55 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -100.89 48.03 0.91 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -151.43 -65.22 0.18 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.19 -28.22 41.55 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 117.491 -1.727 . . . . 0.0 111.95 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -103.18 -42.25 5.82 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.255 1.527 . . . . 0.0 110.549 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -70.48 -55.71 8.32 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.826 1.648 . . . . 0.0 109.027 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.3 -32.81 68.79 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.846 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -77.94 -25.07 48.05 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.357 -0.83 . . . . 0.0 111.661 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 52.58 61.46 3.18 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.851 0.75 . . . . 0.0 110.856 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 51.23 42.29 28.74 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 50.3 -121.04 1.63 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.516 -1.706 . . . . 0.0 109.212 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -91.37 -10.69 40.24 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.369 1.895 . . . . 0.0 112.147 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -69.18 144.71 13.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-N 120.474 1.488 . . . . 0.0 107.162 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -108.12 149.17 28.84 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.355 0.837 0 CA-C-N 119.28 0.945 . . . . 0.0 109.983 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 118.497 -0.764 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.67 165.59 0.84 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.992 0.815 . . . . 0.0 110.797 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 52.59 42.32 31.43 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.017 0.826 . . . . 0.0 108.781 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.84 -28.61 25.76 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.116 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -50.99 -41.59 59.75 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.101 1.951 . . . . 0.0 112.259 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.37 70.91 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -84.96 24.12 1.11 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.791 -1.1 . . . . 0.0 111.499 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -145.98 -61.69 0.32 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.483 1.492 . . . . 0.0 109.479 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.72 -28.39 1.1 Allowed Glycine 0 C--N 1.354 1.583 0 CA-C-O 117.452 -1.749 . . . . 0.0 114.541 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 -50.46 1.84 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.278 1.539 . . . . 0.0 110.972 177.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -51.75 -41.68 61.76 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.651 1.569 . . . . 0.0 109.515 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -84.52 -22.24 30.24 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.461 -1.256 . . . . 0.0 111.527 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -60.74 2.93 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.821 2.1 . . . . 0.0 108.516 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -28.49 55.78 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.115 -1.421 . . . . 0.0 112.354 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 tptt 35.36 46.27 0.25 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 112.044 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -99.75 -49.98 4.19 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -43.83 -35.11 1.8 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.204 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 tp -45.83 140.67 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 117.608 -1.186 . . . . 0.0 110.026 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 t -65.4 -49.25 69.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.515 1.507 . . . . 0.0 109.18 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.353 0.738 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.692 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.222 -0.358 0 CA-C-O 117.903 -1.046 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 CA--C 1.514 -0.425 0 CA-C-O 117.922 -1.037 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 118.045 -0.979 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 CA--C 1.513 -0.462 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.56 91.05 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.01 -36.93 73.37 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.25 -11.79 1.76 Allowed Glycine 0 C--N 1.354 1.561 0 CA-C-O 116.657 -2.19 . . . . 0.0 115.046 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 m -41.93 -45.3 3.71 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.786 2.793 . . . . 0.0 111.427 174.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -63.6 -39.71 95.07 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.56 1.073 . . . . 0.0 109.397 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -60.36 -50.5 80.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -56.11 -47.28 78.38 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.616 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.85 -38.76 86.65 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 118.804 0.729 . . . . 0.0 110.658 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.56 -43.63 69.08 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 118.857 0.753 . . . . 0.0 110.426 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.4 t -68.57 -43.75 75.91 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 118.44 0.564 . . . . 0.0 109.64 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.68 -47.32 89.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.9 -43.39 86.09 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 119.016 0.826 . . . . 0.0 109.141 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.1 tpp -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 119.598 1.09 . . . . 0.0 109.175 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.75 -43.51 96.22 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.223 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -73.2 -35.36 66.33 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.787 -1.102 . . . . 0.0 110.316 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -56.97 -57.82 8.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-O 117.767 -1.111 . . . . 0.0 109.21 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -55.96 -41.43 74.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 120.301 1.41 . . . . 0.0 109.526 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -64.35 -41.75 96.59 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.427 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -66.05 -45.98 79.45 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.6 -39.86 77.81 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.253 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -65.6 -42.92 91.11 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.001 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.81 -55.75 19.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -50.11 -37.83 35.88 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.455 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.21 -49.16 70.78 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.458 -0.782 . . . . 0.0 109.454 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.55 -41.23 72.96 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.652 1.115 . . . . 0.0 109.441 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.25 -39.8 93.14 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -30.28 70.88 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.157 0.89 . . . . 0.0 110.481 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.14 19.94 1.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.541 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -143.72 -59.81 0.4 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.743 1.61 . . . . 0.0 109.615 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.56 -21.57 14.49 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-O 117.365 -1.797 . . . . 0.0 113.292 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 50.0 1.59 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.197 1.999 . . . . 0.0 108.797 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -64.24 -53.18 53.2 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.79 -36.86 17.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.049 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -75.8 -43.24 47.22 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.843 0.747 . . . . 0.0 110.67 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.447 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 53.2 p-90 46.99 43.15 13.48 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -171.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 41.72 59.26 2.54 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.793 0.683 . . . . 0.0 110.975 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 57.0 t-80 -161.52 -54.89 0.05 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.295 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.74 -37.31 68.29 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.968 -1.015 . . . . 0.0 108.305 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 tt -34.45 128.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.473 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.0 p -100.17 -41.95 6.9 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.073 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.862 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.64 163.23 0.13 Allowed 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.465 0.575 . . . . 0.0 111.868 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.29 -35.98 74.74 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -8.65 1.79 Allowed Glycine 0 C--N 1.355 1.6 0 CA-C-O 116.3 -2.389 . . . . 0.0 115.266 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.0 m -46.77 -50.81 17.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.976 2.888 . . . . 0.0 109.759 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -63.56 -38.3 90.61 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.928 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.87 -51.17 75.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 -46.5 81.1 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.605 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.85 -39.8 86.42 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.352 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -68.37 -46.9 68.83 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.818 0.736 . . . . 0.0 110.104 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -65.86 -46.3 78.96 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.685 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.7 mt -57.46 -45.92 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -52.77 63.72 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.629 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 ttm -57.36 -49.58 75.71 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.814 1.188 . . . . 0.0 110.484 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.72 -42.34 79.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.768 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -82.92 -18.84 38.69 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 117.441 -1.266 . . . . 0.0 111.813 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mt -68.85 -48.67 69.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 120.858 1.663 . . . . 0.0 107.902 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -56.24 -41.05 75.11 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.763 1.62 . . . . 0.0 108.761 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.62 -49.11 77.9 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.731 -0.788 . . . . 0.0 109.101 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -59.82 -46.53 88.95 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.17 -43.41 95.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.933 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -65.33 -39.58 92.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.555 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.81 -57.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 p30 -59.1 -30.09 67.84 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.553 1.069 . . . . 0.0 110.525 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -64.78 -47.05 79.56 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.12 0.873 . . . . 0.0 109.282 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.08 -48.88 78.79 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.319 0.963 . . . . 0.0 108.48 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.8 -41.77 78.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.203 0.911 . . . . 0.0 109.067 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.83 83.2 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.347 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -98.64 33.47 2.27 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.542 0.61 . . . . 0.0 110.896 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -142.67 -61.27 0.44 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.07 -22.03 12.21 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 117.716 -1.602 . . . . 0.0 113.065 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.33 51.32 1.07 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.943 1.872 . . . . 0.0 109.154 176.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -52.54 48.16 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -52.48 -35.44 52.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -81.79 -38.59 25.36 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.89 0.768 . . . . 0.0 111.403 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.466 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 41.1 p-90 46.07 45.32 12.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.319 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.8 54.31 4.69 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 123.592 0.558 . . . . 0.0 110.747 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 51.1 t60 -163.06 -56.38 0.04 OUTLIER 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.524 -0.751 . . . . 0.0 111.752 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -51.49 -34.11 34.34 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.147 0.885 . . . . 0.0 109.748 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tp -41.82 139.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -73.49 177.99 4.94 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.166 0.894 . . . . 0.0 110.161 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.355 0.825 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.5 p90 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 118.344 -0.836 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.79 34.49 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.098 -0.953 . . . . 0.0 108.59 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.49 -37.73 87.14 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.787 1.176 . . . . 0.0 108.325 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.1 -20.68 2.15 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 116.92 -2.044 . . . . 0.0 114.618 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.9 p -38.63 -50.45 1.61 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.914 2.357 . . . . 0.0 111.488 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -64.87 -40.16 94.69 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.561 1.073 . . . . 0.0 109.929 -178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.1 -50.16 80.76 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -55.88 -49.39 73.51 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.8 -38.95 76.45 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.779 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -70.77 -45.53 64.59 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.774 0.716 . . . . 0.0 110.693 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -64.08 -45.14 90.03 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.441 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.36 -43.64 94.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.18 72.51 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 tpp -59.95 -48.57 81.16 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.129 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.91 -46.85 84.35 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.097 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -69.88 -51.16 35.57 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.069 -0.967 . . . . 0.0 108.434 -177.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.5 mt -39.97 -50.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.716 -176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -65.77 -45.83 81.02 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.731 1.605 . . . . 0.0 109.659 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.17 -63.2 1.16 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.286 0.948 . . . . 0.0 108.785 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -45.55 -46.96 14.38 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.984 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.87 -45.71 93.46 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 119.253 0.933 . . . . 0.0 109.437 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.19 -38.15 90.04 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.177 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.9 -52.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -54.05 -39.44 66.22 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 118.932 0.787 . . . . 0.0 110.093 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -62.04 -44.13 97.36 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.686 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.6 -43.09 99.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.548 1.067 . . . . 0.0 109.231 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.79 -43.45 90.5 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.421 1.009 . . . . 0.0 108.612 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.7 83.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.124 0.874 . . . . 0.0 109.403 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.49 9.78 1.6 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.484 -1.246 . . . . 0.0 113.375 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -138.1 -55.12 0.65 Allowed 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.939 1.7 . . . . 0.0 109.99 172.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.77 -22.41 62.01 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.995 -2.003 . . . . 0.0 112.381 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -108.83 -38.67 5.55 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.689 1.744 . . . . 0.0 111.608 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 -61.32 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 122.411 2.368 . . . . 0.0 108.691 -174.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -58.18 -29.42 65.62 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.475 0.58 . . . . 0.0 110.431 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.0 -31.11 50.44 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.793 -0.623 . . . . 0.0 111.614 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . 0.306 27.6 p-90 52.92 43.67 31.34 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 118.456 0.571 . . . . 0.0 110.836 -174.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 46.23 44.63 12.44 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 123.964 0.79 . . . . 0.0 112.92 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -172.01 -51.36 0.02 OUTLIER 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.836 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -45.08 -32.49 1.76 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.42 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.2 tp -38.14 141.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.766 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -128.42 -49.41 1.29 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.847 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.357 0.907 0 CA-C-N 121.038 1.744 . . . . 0.0 107.989 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.514 -0.437 0 CA-C-O 118.116 -0.945 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.05 151.83 0.12 Allowed 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.786 0.679 . . . . 0.0 110.19 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.63 -37.32 86.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.04 -20.52 2.0 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.773 -2.126 . . . . 0.0 114.263 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -42.48 -41.4 2.93 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.051 2.425 . . . . 0.0 112.316 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -72.13 -40.21 68.26 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.978 1.263 . . . . 0.0 109.305 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.05 -50.1 81.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t -55.34 -46.69 76.39 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.548 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.1 -39.65 86.91 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.463 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -69.07 -46.16 68.52 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.858 0.754 . . . . 0.0 110.176 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.3 t -67.83 -43.3 79.87 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.013 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.8 -49.03 85.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.25 71.21 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.988 0.813 . . . . 0.0 109.245 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -48.38 81.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.82 1.191 . . . . 0.0 109.008 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.85 -37.96 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.411 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -77.85 -51.62 10.18 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 -174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.6 mt -36.82 -49.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.8 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -64.32 -44.26 92.12 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 120.385 1.448 . . . . 0.0 109.552 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.71 -51.37 69.63 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -54.72 -44.5 73.55 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.68 -43.76 92.52 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.64 -38.33 89.09 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.575 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.91 -56.94 11.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.9 p30 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.496 1.044 . . . . 0.0 110.285 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.29 -47.86 72.24 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.116 0.871 . . . . 0.0 109.863 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.21 -48.55 81.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.313 0.961 . . . . 0.0 109.301 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.06 -45.4 90.88 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.08 73.43 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -104.4 47.48 0.87 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.889 0.768 . . . . 0.0 109.711 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -148.32 -63.27 0.25 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.41 -20.42 16.47 Favored Glycine 0 C--N 1.357 1.732 0 CA-C-O 117.767 -1.574 . . . . 0.0 112.693 175.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.56 47.64 1.19 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.736 1.768 . . . . 0.0 109.623 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -46.2 22.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -52.94 -35.17 58.32 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.307 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.82 -27.79 30.65 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.622 1.101 . . . . 0.0 111.725 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.451 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 40.5 p-90 52.39 44.12 30.21 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.385 0.993 . . . . 0.0 110.369 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? 51.0 48.17 23.57 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.829 0.705 . . . . 0.0 110.151 168.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 29.5 t60 -169.54 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.99 -0.684 . . . . 0.0 112.06 -172.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 40' ' ' ILE . 57.4 t-20 -53.27 -37.83 62.5 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.551 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -22.5 107.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.037 0 O-C-N 124.829 1.331 . . . . 0.0 110.255 178.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.0 p -82.27 -68.48 0.7 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-N 118.923 0.783 . . . . 0.0 109.546 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -176.399 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.31 160.19 0.23 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 123.603 0.565 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.94 -38.97 83.96 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.85 -23.92 1.69 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-O 117.105 -1.942 . . . . 0.0 114.199 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.0 m -38.31 -50.17 1.45 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.583 2.192 . . . . 0.0 112.361 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -69.13 -40.26 78.37 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.864 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.7 mm -57.77 -48.5 83.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -58.45 -47.23 84.67 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.406 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.95 -38.81 83.55 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.654 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.61 -44.18 71.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.531 0.605 . . . . 0.0 110.388 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -68.63 -44.99 73.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.97 -48.38 84.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.76 73.61 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -54.15 -48.09 71.24 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.101 0.864 . . . . 0.0 109.277 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.93 -42.58 99.85 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.977 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -79.65 -15.48 57.51 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.029 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.9 mt -72.21 -48.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 121.002 1.728 . . . . 0.0 107.641 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -60.72 -41.79 96.0 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.369 1.44 . . . . 0.0 108.956 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.67 -54.86 29.07 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.106 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -57.04 -45.56 83.08 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 118.461 0.573 . . . . 0.0 109.466 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -43.88 84.59 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.566 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.13 -38.05 84.9 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.854 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.22 -58.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -58.63 -29.93 66.9 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.627 1.103 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -62.89 -46.32 88.41 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.31 0.959 . . . . 0.0 109.497 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.52 -48.45 77.51 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.246 0.93 . . . . 0.0 109.385 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.66 -44.85 85.98 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.381 0.991 . . . . 0.0 108.585 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.97 63.19 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -87.48 63.53 7.7 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -169.39 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.41 -44.3 93.63 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.846 -1.53 . . . . 0.0 110.866 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.21 24.54 12.85 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 118.455 1.127 . . . . 0.0 111.876 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -92.67 -56.05 3.16 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -56.65 -35.07 67.94 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.056 0.844 . . . . 0.0 109.43 176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.94 -41.87 61.38 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.612 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.7 p-90 44.83 50.62 8.76 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -169.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.05 56.04 1.25 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.193 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 48.7 t-80 -156.92 -58.36 0.09 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.14 -0.933 . . . . 0.0 111.668 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -55.03 -38.64 68.22 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.095 1.316 . . . . 0.0 108.754 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 tt -33.4 131.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.082 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 p -86.63 155.86 20.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.319 0.963 . . . . 0.0 108.934 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.354 0.797 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.509 -0.608 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.08 151.03 37.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.676 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.162 0.892 . . . . 0.0 108.671 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.93 -21.86 1.82 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.942 -2.032 . . . . 0.0 113.64 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -42.84 -40.11 2.77 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.99 2.395 . . . . 0.0 112.636 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -71.39 -40.09 70.78 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.02 1.282 . . . . 0.0 109.143 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.61 -50.62 79.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.2 t -55.42 -47.65 75.63 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.56 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.14 -39.99 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.573 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -69.63 -45.18 69.08 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 118.669 0.668 . . . . 0.0 110.548 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -67.43 -44.44 78.73 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.54 -51.12 73.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.33 73.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.022 0.828 . . . . 0.0 109.291 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 45.1 tpp -55.84 -49.09 74.24 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.25 0.932 . . . . 0.0 109.173 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.97 -40.19 95.84 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.11 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -81.54 -18.74 43.94 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.389 -172.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.33 -48.81 58.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-N 120.459 1.481 . . . . 0.0 107.867 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -59.83 -40.88 90.0 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.591 1.541 . . . . 0.0 108.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.18 -53.74 50.97 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.167 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -60.84 -43.26 98.55 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.52 -43.86 89.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -67.43 -38.27 84.3 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.879 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.76 -57.79 8.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -59.06 -26.52 64.68 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.543 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -67.96 -45.34 74.49 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.629 1.104 . . . . 0.0 109.263 173.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.08 -45.16 95.84 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.878 1.217 . . . . 0.0 109.473 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.67 -45.66 91.76 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.73 74.51 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.177 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -89.41 48.5 1.62 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -163.48 -61.82 0.04 OUTLIER 'General case' 0 C--N 1.356 0.867 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.58 -25.17 8.51 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.397 -1.779 . . . . 0.0 113.279 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -53.31 2.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 119.272 1.536 . . . . 0.0 109.961 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.28 -46.93 62.63 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.697 1.59 . . . . 0.0 109.245 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.01 -27.39 48.91 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.657 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -53.92 -61.26 2.42 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.814 1.643 . . . . 0.0 108.834 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -25.24 39.54 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.586 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 32.42 49.3 0.14 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.266 1.394 . . . . 0.0 112.217 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -103.02 -46.85 4.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.361 -175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -48.33 -28.99 3.48 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.701 -1.142 . . . . 0.0 111.845 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -43.0 125.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-O 117.0 -1.476 . . . . 0.0 108.824 177.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 t 48.81 179.35 0.01 OUTLIER 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.813 1.188 . . . . 0.0 113.132 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.355 0.826 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.805 -177.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.72 145.01 35.9 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.55 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.24 -40.92 81.84 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 176.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.31 -21.0 2.58 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 117.105 -1.942 . . . . 0.0 113.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.7 m -41.1 -48.4 3.33 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.704 2.252 . . . . 0.0 111.805 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -67.55 -39.25 84.98 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.55 1.068 . . . . 0.0 109.636 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -58.7 -48.37 86.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -57.8 -46.32 84.82 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.079 0.854 . . . . 0.0 109.582 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -59.81 -42.01 92.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.778 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -65.6 -40.8 93.07 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.075 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -70.8 -49.36 47.29 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.844 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.18 79.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.71 87.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -49.07 73.49 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.654 1.115 . . . . 0.0 109.146 -177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.73 -44.9 96.06 Favored 'General case' 0 C--N 1.353 0.717 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.346 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -78.44 -17.26 56.6 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.322 -1.323 . . . . 0.0 111.715 -174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.7 -52.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 121.243 1.838 . . . . 0.0 107.879 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -58.7 -40.34 83.35 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.244 1.384 . . . . 0.0 108.848 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -65.77 -49.33 68.73 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.466 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -62.94 -44.27 96.52 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.8 -42.9 90.18 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.467 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -66.27 -38.9 88.89 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.971 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.25 -50.98 70.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -53.36 -38.62 63.47 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 118.811 0.732 . . . . 0.0 110.1 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -63.31 -51.54 65.62 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.9 mt -54.16 -43.68 70.81 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.63 1.104 . . . . 0.0 109.495 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.15 -44.67 92.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 108.461 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.37 66.74 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.086 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -90.66 24.46 2.67 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.373 1.442 . . . . 0.0 111.172 174.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -160.87 -43.42 0.04 OUTLIER 'General case' 0 C--N 1.357 0.91 0 CA-C-N 121.138 1.79 . . . . 0.0 113.557 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.17 -71.82 0.69 Allowed Glycine 0 C--N 1.354 1.58 0 CA-C-N 122.648 2.476 . . . . 0.0 108.258 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.96 77.21 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 117.955 0.878 . . . . 0.0 112.0 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -81.62 -33.88 31.22 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.174 0.897 . . . . 0.0 112.122 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -9.02 40.91 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.324 177.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.39 -62.85 1.57 Allowed 'General case' 0 C--N 1.358 0.937 0 CA-C-N 121.684 2.038 . . . . 0.0 106.846 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.56 -24.21 56.65 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.627 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 tptm 34.99 49.56 0.41 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.075 1.307 . . . . 0.0 112.002 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -106.92 -48.06 3.58 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.829 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -46.62 -33.39 4.15 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.789 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.23 144.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 118.654 -0.689 . . . . 0.0 111.779 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -151.59 -51.83 0.12 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.581 -1.2 . . . . 0.0 111.301 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 C--N 1.356 0.887 0 CA-C-N 120.612 1.551 . . . . 0.0 111.282 172.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 p90 . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 118.164 -0.922 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.96 167.13 0.2 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 118.617 0.644 . . . . 0.0 110.941 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.22 145.69 30.84 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 117.775 -1.107 . . . . 0.0 108.91 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.49 -32.09 7.97 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.189 -1.339 . . . . 0.0 110.331 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -55.15 -40.26 70.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.62 1.71 . . . . 0.0 110.261 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -72.02 -38.42 69.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.388 -0.925 . . . . 0.0 108.984 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.78 -49.55 82.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -57.62 -49.72 75.51 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.657 -0.817 . . . . 0.0 108.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -57.85 -36.81 72.83 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -71.96 -47.33 53.06 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 118.786 0.721 . . . . 0.0 110.285 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.2 t -63.36 -46.11 88.06 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.7 -40.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.19 -51.57 69.18 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.879 1.218 . . . . 0.0 108.29 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.1 ttp -56.64 -53.89 52.41 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.962 1.255 . . . . 0.0 109.831 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -55.69 -45.32 77.82 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.643 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -76.2 -27.65 56.93 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.449 -1.262 . . . . 0.0 110.553 -175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.79 -53.36 42.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 120.698 1.59 . . . . 0.0 108.91 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -56.67 -41.72 77.77 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.832 1.651 . . . . 0.0 109.115 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -63.05 -50.32 71.1 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.576 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -62.33 -46.44 88.7 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -173.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.94 -43.12 86.15 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.495 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.7 -39.32 91.13 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.836 -0.745 . . . . 0.0 110.215 -177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.52 -53.08 46.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -53.45 -35.29 60.33 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.521 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -66.71 -43.05 85.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 118.207 -0.901 . . . . 0.0 109.881 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.57 -41.98 99.26 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.681 1.128 . . . . 0.0 109.236 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.25 -39.79 94.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.011 0.823 . . . . 0.0 108.876 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.23 81.76 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 119.041 0.837 . . . . 0.0 108.749 174.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -86.57 21.99 2.01 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.953 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -141.05 -62.27 0.48 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.05 1.296 . . . . 0.0 108.496 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -13.96 1.06 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 116.649 -2.195 . . . . 0.0 114.432 174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -128.75 -56.7 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.763 2.282 . . . . 0.0 110.305 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -57.91 -43.68 86.36 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.681 1.128 . . . . 0.0 109.712 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.92 -19.26 48.49 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.305 -1.331 . . . . 0.0 110.839 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.71 -63.9 1.12 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.57 1.986 . . . . 0.0 107.994 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.37 59.77 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.974 -1.489 . . . . 0.0 112.234 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt 35.09 45.65 0.18 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.356 1.434 . . . . 0.0 111.888 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -102.04 -46.78 4.76 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.926 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -47.43 -32.96 5.54 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.456 -1.259 . . . . 0.0 111.584 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.3 tp -40.42 137.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.553 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.3 p -88.9 -65.61 1.0 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.374 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.6 p90 . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 118.104 -0.95 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.65 165.48 0.23 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.678 0.672 . . . . 0.0 112.047 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -60.93 151.01 31.43 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.383 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.61 -34.36 5.52 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -58.23 -46.18 86.36 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.767 1.283 . . . . 0.0 109.442 174.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -66.38 -39.27 88.99 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.156 -1.017 . . . . 0.0 109.613 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.81 -51.48 69.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.61 -45.0 81.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.546 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.97 -38.99 87.87 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.042 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -69.7 -47.23 63.92 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.036 0.835 . . . . 0.0 110.339 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -46.34 78.79 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.416 0.553 . . . . 0.0 109.537 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.8 mt -56.31 -47.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.32 -47.31 72.62 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.901 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.6 ttp -55.88 -52.81 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 120.297 1.408 . . . . 0.0 109.34 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -56.74 -42.44 79.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.179 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -77.65 -26.61 50.58 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.228 -174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -68.6 -54.8 18.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 120.675 1.58 . . . . 0.0 108.534 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -58.83 -40.8 85.26 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.924 1.693 . . . . 0.0 109.027 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -63.87 -47.33 81.09 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.2 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -64.36 -48.58 74.97 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -52.79 -41.47 64.16 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.73 -41.51 83.33 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.069 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.12 -58.82 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -46.11 -39.07 8.91 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.321 0.964 . . . . 0.0 111.379 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -65.17 -45.31 85.4 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.15 0.886 . . . . 0.0 109.866 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.06 -49.3 78.41 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.42 -41.91 81.3 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.909 0.777 . . . . 0.0 109.392 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.41 -41.84 81.15 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -83.45 63.7 7.46 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.3 0.375 . . . . 0.0 110.012 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 173.06 -48.64 0.01 OUTLIER 'General case' 0 C--N 1.355 0.843 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 171.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.64 -38.81 94.3 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 120.313 1.415 . . . . 0.0 110.21 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -52.0 2.9 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 117.692 0.746 . . . . 0.0 109.204 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.67 -44.33 63.02 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.623 -0.703 . . . . 0.0 111.236 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -60.94 -32.15 71.67 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.117 -175.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' ASN . 53.6 t0 -39.19 -45.9 1.4 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.263 0.938 . . . . 0.0 110.05 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.5 p90 -95.59 -49.3 5.45 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.309 173.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 54.14 83.66 0.07 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.112 1.323 . . . . 0.0 110.796 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -164.97 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.266 0.939 . . . . 0.0 110.785 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . 3.7 t30 -41.54 -39.33 1.54 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.522 -1.228 . . . . 0.0 111.087 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -22.79 103.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 124.782 1.301 . . . . 0.0 111.012 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -66.95 -47.94 70.1 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 110.467 -173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.767 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 CA--C 1.509 -0.596 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.78 36.13 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.735 -0.65 . . . . 0.0 110.312 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.31 -40.67 97.99 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.55 2.75 Favored Glycine 0 C--N 1.354 1.571 0 CA-C-O 117.079 -1.956 . . . . 0.0 114.128 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 m -42.22 -47.02 4.63 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.858 2.329 . . . . 0.0 111.741 175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -64.95 -39.53 93.63 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 119.777 1.171 . . . . 0.0 109.556 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.08 -48.92 86.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -55.85 -49.39 73.45 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 118.875 0.761 . . . . 0.0 108.999 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.55 -40.77 79.6 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -68.16 -44.67 75.45 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.691 0.678 . . . . 0.0 110.703 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -66.0 -45.57 81.1 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.788 0.722 . . . . 0.0 109.595 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -57.1 -48.95 81.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.6 -45.52 81.36 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.184 -0.913 . . . . 0.0 109.176 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 tpp -54.18 -49.01 70.32 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.622 1.101 . . . . 0.0 109.377 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.69 -46.01 87.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.628 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -71.54 -22.04 61.82 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.916 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.13 -51.73 40.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.683 1.583 . . . . 0.0 108.55 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -59.25 -40.4 85.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.851 1.66 . . . . 0.0 109.464 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -63.43 -53.58 50.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.038 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -61.44 -44.45 97.1 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.368 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.01 -44.67 78.9 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 118.749 0.704 . . . . 0.0 109.379 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -67.46 -39.87 85.35 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.633 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -54.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -48.7 -40.98 30.27 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.235 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -61.73 -45.82 92.31 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.115 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.44 -44.56 80.59 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 120.094 1.315 . . . . 0.0 108.76 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 70.1 mt -57.87 -46.58 84.63 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.23 75.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.322 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -84.27 21.06 1.48 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.88 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -154.78 -52.26 0.09 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-N 120.759 1.618 . . . . 0.0 111.019 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.49 -42.62 51.31 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 121.774 2.079 . . . . 0.0 111.185 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -98.62 -51.85 3.8 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.097 0.948 . . . . 0.0 108.853 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -50.07 -44.65 51.86 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 118.807 0.731 . . . . 0.0 111.069 -178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.9 t30 -71.06 -33.09 69.93 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.415 -1.279 . . . . 0.0 110.946 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ASN . 17.7 t70 -37.83 -46.37 0.93 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.734 1.152 . . . . 0.0 110.572 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -96.28 -43.58 7.63 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.857 -1.068 . . . . 0.0 111.0 171.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm 59.38 81.73 0.16 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 119.935 1.243 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -164.1 -52.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.676 0.671 . . . . 0.0 111.256 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -45.13 -34.37 2.63 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.799 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mt -58.09 123.7 10.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 105.029 -2.212 . . . . 0.0 105.029 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t 45.51 -161.07 0.02 OUTLIER 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.776 1.171 . . . . 0.0 112.313 -177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.075 0.852 . . . . 0.0 110.61 178.825 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.87 83.71 0.02 OUTLIER 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.125 0.875 . . . . 0.0 109.649 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -59.31 -36.99 76.64 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.63 -17.92 2.3 Favored Glycine 0 C--N 1.354 1.572 0 CA-C-O 116.833 -2.093 . . . . 0.0 114.423 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 t -44.29 -39.04 4.23 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.388 2.594 . . . . 0.0 112.45 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.32 -39.96 74.46 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 119.803 1.183 . . . . 0.0 109.019 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.14 -49.92 82.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -56.22 -47.23 78.86 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.579 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.66 -39.22 87.56 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.043 0.838 . . . . 0.0 110.779 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.45 -44.66 70.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.653 0.66 . . . . 0.0 110.27 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -67.95 -44.39 76.88 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.5 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.74 -50.06 80.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.91 67.34 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.6 ttm -56.96 -50.72 71.77 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.234 0.924 . . . . 0.0 109.978 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.0 -37.88 77.9 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.112 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.57 -17.58 33.62 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.56 -1.209 . . . . 0.0 111.404 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.62 -52.45 28.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-N 120.549 1.522 . . . . 0.0 107.881 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -54.49 -40.11 68.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.034 1.743 . . . . 0.0 108.906 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.31 -49.33 77.46 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.868 176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.01 -49.96 75.32 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -50.63 -42.6 56.45 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 119.186 -0.435 . . . . 0.0 109.973 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -70.24 -38.47 75.19 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.444 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.33 -59.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 119.321 0.964 . . . . 0.0 108.781 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -56.55 -28.84 61.07 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.496 1.044 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -63.83 -52.59 59.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.567 1.076 . . . . 0.0 108.699 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.1 -40.69 67.52 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.652 1.115 . . . . 0.0 110.232 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.41 -42.57 87.59 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.212 0.915 . . . . 0.0 108.598 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.5 -13.82 61.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.252 -1.356 . . . . 0.0 112.467 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.18 -12.0 59.97 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 116.94 -1.505 . . . . 0.0 111.449 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLY . 88.7 tttt -151.39 -53.49 0.13 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 120.879 1.672 . . . . 0.0 113.423 -169.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -29.84 -50.95 0.16 Allowed Glycine 0 C--N 1.357 1.73 0 CA-C-N 119.808 1.186 . . . . 0.0 113.41 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -154.84 49.1 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.174 0.987 . . . . 0.0 109.49 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -91.35 -61.23 1.7 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.143 -172.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.88 -32.2 52.42 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.593 1.088 . . . . 0.0 110.242 -177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -76.03 -43.84 42.17 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.334 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.417 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 49.9 p-90 48.64 53.38 12.32 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.638 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.38 56.36 0.66 Allowed 'General case' 0 C--N 1.358 0.939 0 O-C-N 123.91 0.756 . . . . 0.0 111.465 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 74.4 t60 -158.26 -56.99 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.376 -176.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -53.71 -34.72 59.76 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.055 -0.974 . . . . 0.0 108.97 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -42.26 130.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.004 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 t -91.59 167.54 12.15 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.476 1.034 . . . . 0.0 111.182 -173.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.8 p90 . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.05 149.68 22.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.782 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.1 -40.61 85.86 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.304 0.956 . . . . 0.0 108.468 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.78 -12.45 2.59 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 116.818 -2.101 . . . . 0.0 115.126 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 p -50.51 -37.3 38.23 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.645 2.723 . . . . 0.0 110.935 176.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -70.32 -40.78 73.97 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.274 1.397 . . . . 0.0 108.998 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 mm -57.88 -48.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 t -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.092 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.27 -38.7 87.67 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.733 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.01 -42.18 85.39 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.391 0.541 . . . . 0.0 109.917 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -68.53 -44.65 74.12 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.175 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.76 99.06 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.8 tpp -58.17 -47.06 84.57 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.657 1.117 . . . . 0.0 108.871 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.56 -44.91 96.17 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.711 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -68.02 -53.64 24.31 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 mt -37.47 -50.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.153 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -62.82 -44.51 95.96 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.659 1.572 . . . . 0.0 109.641 -177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -65.52 -54.89 21.79 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -51.04 -44.36 61.06 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 118.304 0.502 . . . . 0.0 109.754 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -63.97 -45.16 90.35 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.19 -36.98 83.55 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.005 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -67.5 -56.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -58.85 -28.11 65.78 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 119.656 1.116 . . . . 0.0 110.522 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -67.15 -45.67 76.36 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.053 0.842 . . . . 0.0 109.696 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.86 -46.49 89.13 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.702 1.137 . . . . 0.0 108.833 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.06 -41.8 97.3 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.98 78.76 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -87.8 38.72 0.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.893 175.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -149.77 -61.81 0.21 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.23 -0.891 . . . . 0.0 108.852 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.16 -60.14 4.73 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 120.535 1.516 . . . . 0.0 112.018 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.22 26.0 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.037 -0.982 . . . . 0.0 112.454 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -53.88 8.03 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.222 1.374 . . . . 0.0 108.394 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' ASP . 22.1 t-20 -50.1 -34.68 22.74 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.455 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' ASN . 16.7 t70 -37.26 -49.96 0.97 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.31 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 47.6 p90 -90.9 -48.69 6.86 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.604 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 tptt 52.36 89.52 0.03 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.53 1.059 . . . . 0.0 110.075 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -165.45 -47.72 0.03 OUTLIER 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.531 1.059 . . . . 0.0 111.978 -174.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -43.53 -42.41 4.97 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.357 0.98 . . . . 0.0 110.561 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 mm -57.04 139.39 16.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -74.77 84.97 2.16 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 . . . . . 0 C--N 1.355 0.846 0 CA-C-O 121.296 0.57 . . . . 0.0 109.906 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 146.62 27.78 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.749 -1.12 . . . . 0.0 108.64 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.96 -38.76 76.61 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.603 1.092 . . . . 0.0 108.841 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.04 -17.77 2.57 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 116.803 -2.109 . . . . 0.0 114.316 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.5 t -42.88 -40.42 2.92 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 121.259 2.529 . . . . 0.0 112.571 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -71.71 -39.51 70.1 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.837 1.199 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.17 -49.7 83.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 t -54.72 -48.54 72.38 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.792 0.724 . . . . 0.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.35 -41.46 89.28 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.452 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -68.8 -44.62 73.19 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.686 0.675 . . . . 0.0 110.87 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -67.54 -46.13 73.66 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.2 -46.5 81.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.6 64.64 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -47.42 72.59 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 118.952 0.797 . . . . 0.0 110.226 -175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.1 -46.11 90.7 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.264 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -69.67 -20.35 63.57 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.873 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.34 -50.17 77.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 121.465 1.938 . . . . 0.0 108.367 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -57.14 -41.29 78.83 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.077 1.762 . . . . 0.0 109.18 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.35 -51.02 67.67 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.608 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.86 -49.77 64.63 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -172.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.61 -44.3 65.94 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.956 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.46 -41.32 84.85 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.662 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.32 -55.86 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -49.12 -39.75 29.68 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 118.746 0.703 . . . . 0.0 110.831 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -62.41 -45.52 92.74 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.279 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.45 -43.86 84.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.866 1.212 . . . . 0.0 108.492 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.36 -37.32 80.33 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.335 0.97 . . . . 0.0 109.542 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.08 97.9 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.334 0.97 . . . . 0.0 108.881 174.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -83.44 65.42 8.37 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER 165.74 -39.69 0.0 OUTLIER 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.387 174.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.46 -77.42 0.37 Allowed Glycine 0 C--N 1.354 1.572 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.34 66.33 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.603 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -52.06 7.44 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -20.91 60.83 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.575 -1.202 . . . . 0.0 110.273 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.55 -67.37 0.29 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.652 1.569 . . . . 0.0 108.487 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.01 -23.28 52.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.854 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.1 tptt 33.97 54.3 0.55 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.178 1.353 . . . . 0.0 111.577 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -107.76 -51.36 2.92 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.313 -171.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -66.69 -57.39 7.25 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 tp 32.94 55.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 123.634 0.584 . . . . 0.0 110.127 -174.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.3 p 49.08 -96.72 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.756 -1.116 . . . . 0.0 109.654 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.897 1.226 . . . . 0.0 110.223 177.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 CA--C 1.509 -0.633 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.48 83.28 1.18 Allowed 'General case' 0 C--N 1.353 0.727 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -95.25 49.68 1.22 Allowed 'General case' 0 C--N 1.355 0.814 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.71 -3.37 77.44 Favored Glycine 0 C--N 1.354 1.575 0 CA-C-O 117.107 -1.941 . . . . 0.0 111.711 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -72.83 -41.99 64.26 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.886 2.343 . . . . 0.0 108.995 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -73.16 -36.22 66.6 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.633 1.106 . . . . 0.0 109.031 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.63 -50.49 71.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -55.08 -48.03 74.08 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -61.75 -36.54 81.3 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.671 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -67.74 -46.0 73.37 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.061 0.846 . . . . 0.0 109.262 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.988 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -38.37 81.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.68 96.39 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.715 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.2 ttp -58.4 -52.58 65.03 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.356 1.434 . . . . 0.0 108.099 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.1 -45.24 75.44 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.436 -177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -69.4 -54.13 15.93 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.0 mt -43.2 -54.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.709 -1.139 . . . . 0.0 111.764 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -60.7 -43.39 97.83 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.673 1.579 . . . . 0.0 109.074 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.15 -41.12 95.03 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.242 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.77 -45.17 68.62 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.91 -40.52 80.57 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.311 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.91 -42.94 84.58 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.853 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.59 -53.67 44.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -52.84 -38.8 61.89 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.35 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 t90 -63.43 -41.75 98.68 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.055 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.78 -47.77 76.93 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.732 1.151 . . . . 0.0 109.362 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.72 -44.96 90.57 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.06 66.94 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -88.44 57.66 4.33 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -167.57 -60.85 0.03 OUTLIER 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 175.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.4 -45.89 58.34 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 117.883 -1.509 . . . . 0.0 110.983 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 14.59 22.4 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.775 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -54.67 5.91 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -50.87 -35.85 34.87 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.436 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -80.06 -39.82 28.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.055 0.843 . . . . 0.0 112.287 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.441 ' CH2' ' CD2' ' A' ' 38' ' ' HIS . 36.5 p-90 43.23 40.72 2.6 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -172.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.31 54.35 4.28 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.649 0.593 . . . . 0.0 112.091 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 43.9 t60 -157.82 -58.88 0.08 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.083 -1.047 . . . . 0.0 112.598 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -23.03 34.69 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.556 1.071 . . . . 0.0 111.245 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.4 mm -68.12 101.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.906 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 t -147.01 159.94 42.97 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.768 -1.11 . . . . 0.0 108.705 174.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 C--N 1.354 0.783 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 CA--C 1.51 -0.583 0 CA-C-O 118.211 -0.9 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.84 142.47 28.8 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.084 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.363 0.983 . . . . 0.0 108.746 176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -6.63 1.15 Allowed Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.283 -2.398 . . . . 0.0 115.724 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -51.15 -37.75 48.07 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 122.339 3.069 . . . . 0.0 110.599 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -72.14 -41.0 67.64 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.096 1.317 . . . . 0.0 109.229 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -57.17 -46.91 84.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -59.97 -48.12 83.03 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.15 -39.4 82.29 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.531 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -69.58 -43.85 72.0 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 118.658 0.663 . . . . 0.0 110.071 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -65.58 -44.57 86.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.462 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.02 -52.25 62.94 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.86 -42.54 62.72 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 109.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -52.14 66.72 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.17 -30.67 71.77 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.416 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -91.17 -21.32 21.21 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.254 -1.355 . . . . 0.0 111.666 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.76 -54.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 120.956 1.707 . . . . 0.0 107.779 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -57.42 -38.04 73.73 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 119.944 1.247 . . . . 0.0 109.174 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.46 -48.7 69.08 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.407 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -63.94 -44.46 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.21 -43.84 74.82 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.8 -39.84 87.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.751 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.23 -58.43 6.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -59.21 -28.31 66.54 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.481 1.037 . . . . 0.0 110.727 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -65.36 -44.71 86.77 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.451 1.023 . . . . 0.0 109.221 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.48 -51.76 66.17 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.57 1.077 . . . . 0.0 108.855 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.39 -45.04 80.79 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.382 0.992 . . . . 0.0 108.667 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.09 92.89 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.43 -0.795 . . . . 0.0 109.051 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -99.5 47.8 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 118.463 0.574 . . . . 0.0 109.483 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.66 -65.55 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.44 -26.4 37.49 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 117.247 -1.863 . . . . 0.0 112.265 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 -43.43 5.14 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.483 1.641 . . . . 0.0 110.73 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -70.5 -56.8 5.73 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.855 1.662 . . . . 0.0 109.328 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.88 -28.95 67.98 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.366 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -79.71 -24.14 41.88 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.652 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 49.78 60.39 3.83 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.124 0.875 . . . . 0.0 111.078 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm 52.83 39.47 28.98 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 123.96 0.788 . . . . 0.0 109.246 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 58.85 -79.08 0.02 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.782 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ILE . 2.1 t30 -133.01 -43.9 0.87 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.748 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' ASN . 23.2 mt -31.4 134.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 120.451 1.478 . . . . 0.0 110.589 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 t -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.895 1.225 . . . . 0.0 109.713 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 C--N 1.354 0.767 0 CA-C-N 118.9 0.773 . . . . 0.0 109.615 176.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.78 168.53 26.57 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.467 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.17 145.72 52.65 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 175.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.14 -35.06 5.3 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -173.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 m -56.9 -47.27 80.91 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 119.043 1.421 . . . . 0.0 109.307 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -69.51 -40.44 76.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.889 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -59.36 -48.87 85.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -58.36 -47.15 84.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.38 -38.13 79.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.502 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -69.25 -47.93 63.29 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.828 0.74 . . . . 0.0 110.245 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -66.12 -45.63 80.41 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.634 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.92 -46.45 83.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.77 71.06 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.063 -0.97 . . . . 0.0 108.896 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 14' ' ' MET . 8.5 tmm? -55.27 -53.39 56.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.592 1.087 . . . . 0.0 108.606 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.84 -43.62 73.21 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.052 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -76.64 -25.18 53.5 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.133 -1.413 . . . . 0.0 111.033 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.5 mt -68.06 -50.22 60.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 121.034 1.743 . . . . 0.0 108.665 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -58.58 -41.59 86.1 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.651 1.569 . . . . 0.0 109.022 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.17 -50.12 71.58 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.548 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -62.57 -44.8 95.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.32 -44.37 79.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.19 -38.19 84.94 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.233 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -68.61 -59.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.2 p30 -56.56 -31.75 64.5 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.528 1.058 . . . . 0.0 110.295 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.1 -53.21 59.92 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.474 173.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.0 mt -54.55 -41.97 70.39 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.812 1.187 . . . . 0.0 109.872 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.98 -35.58 77.18 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.514 1.052 . . . . 0.0 109.131 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.07 28.85 0.68 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.841 -1.076 . . . . 0.0 112.589 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -138.03 43.22 2.23 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.098 1.317 . . . . 0.0 107.605 173.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 157.35 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.315 -176.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.29 -58.16 9.28 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -157.13 45.64 0.39 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.726 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.04 -54.03 4.01 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.42 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -56.75 -32.58 65.73 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.508 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -84.73 -33.47 23.08 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.544 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 48.2 p-90 48.45 41.26 16.53 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 0.714 . . . . 0.0 112.036 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mptt 51.6 51.42 16.75 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 172.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 62.3 t-80 -161.79 -54.97 0.05 OUTLIER 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.418 -0.913 . . . . 0.0 112.715 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -54.36 -24.74 20.76 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -59.13 96.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.831 -1.081 . . . . 0.0 109.928 171.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--N 1.358 0.949 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 118.261 -0.876 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.48 71.42 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.75 -25.66 2.37 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 117.591 -1.672 . . . . 0.0 113.218 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.8 m -42.13 -48.29 4.74 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.096 1.948 . . . . 0.0 111.698 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.1 p90 -64.64 -39.6 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.883 1.22 . . . . 0.0 109.437 -177.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.45 -49.84 82.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -56.66 -45.84 81.42 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 118.962 0.801 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.55 -43.8 89.42 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.547 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -65.4 -39.72 92.55 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.917 -0.564 . . . . 0.0 110.462 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 t -68.76 -51.95 35.7 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.762 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -37.99 80.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.89 -46.85 88.0 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.51 1.05 . . . . 0.0 108.518 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.5 ttm -60.76 -48.68 80.69 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.633 1.106 . . . . 0.0 110.056 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.27 -48.11 79.7 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.986 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -66.02 -41.91 90.35 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.504 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -51.05 -47.96 30.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.671 -174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -58.9 -41.74 87.94 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 120.648 1.567 . . . . 0.0 109.351 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -64.23 -51.91 61.34 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.989 0.813 . . . . 0.0 109.37 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.54 -45.13 81.34 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -175.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.96 -43.56 98.58 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.719 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -63.23 -38.71 92.23 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.611 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.58 -57.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -57.38 -30.01 64.54 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.684 1.129 . . . . 0.0 110.388 -177.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.04 -47.42 74.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.969 0.804 . . . . 0.0 109.901 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.54 -49.12 77.4 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.453 1.024 . . . . 0.0 108.386 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.06 -39.9 83.51 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.91 73.9 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -91.15 38.55 0.97 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.071 0.85 . . . . 0.0 111.341 174.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -143.34 -61.82 0.41 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.48 -21.18 48.23 Favored Glycine 0 C--N 1.356 1.689 0 CA-C-O 117.488 -1.729 . . . . 0.0 112.959 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 47.73 1.18 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.15 1.975 . . . . 0.0 109.678 177.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -52.59 12.57 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -52.07 -36.01 49.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.158 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.37 -30.99 37.93 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.184 -0.913 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 51.78 69.81 0.62 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.032 0.833 . . . . 0.0 110.392 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm 51.24 36.63 16.47 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.166 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 52.58 -92.68 0.03 OUTLIER 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.495 -173.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -136.26 47.42 2.21 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 120.481 1.491 . . . . 0.0 110.326 -175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.2 mm -124.09 137.77 55.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -95.35 68.93 3.06 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.354 0.802 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.27 163.18 25.97 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pm0 -81.09 51.36 1.57 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.796 1.18 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.39 -4.72 85.77 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 117.076 -1.958 . . . . 0.0 111.343 175.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 m -64.26 -50.87 66.22 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 2.438 . . . . 0.0 109.304 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -67.97 -38.48 82.79 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.487 -177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.08 -48.75 86.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -61.25 -46.69 89.34 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -60.17 -37.39 80.01 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.225 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -70.67 -43.64 68.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 118.788 0.722 . . . . 0.0 110.348 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -67.01 -46.11 75.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.78 -46.31 83.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -46.92 71.76 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.525 1.057 . . . . 0.0 109.024 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.8 ttp -57.36 -53.53 57.11 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.135 1.334 . . . . 0.0 109.307 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.07 -40.18 76.38 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.427 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.14 -28.62 35.01 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.838 -174.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.62 -49.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.47 -1.252 . . . . 0.0 108.765 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -59.51 -41.59 90.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.658 1.572 . . . . 0.0 109.102 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.08 -46.92 85.13 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.08 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -60.77 -44.27 96.99 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -57.38 -43.36 83.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -67.09 -40.83 87.01 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.122 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.65 -58.75 4.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -58.34 -28.61 65.25 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.517 1.053 . . . . 0.0 110.51 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -65.88 -46.13 79.52 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.537 1.062 . . . . 0.0 109.002 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.42 -51.61 68.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.558 1.072 . . . . 0.0 108.332 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.938 1.244 . . . . 0.0 108.871 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.78 77.27 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.027 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -104.69 56.13 0.71 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -162.82 -57.18 0.04 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.045 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.24 -62.13 6.7 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -26.58 65.67 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.976 -1.488 . . . . 0.0 112.224 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -86.46 -50.78 6.63 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.567 1.53 . . . . 0.0 111.269 -170.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -59.27 -33.42 71.04 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.293 0.951 . . . . 0.0 108.768 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.45 -41.36 69.53 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.473 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.435 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 54.6 p-90 44.53 50.57 8.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -169.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.29 55.81 1.35 Allowed 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.206 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CG ' ' CH2' ' A' ' 36' ' ' TRP . 68.5 t60 -154.64 -58.86 0.11 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.181 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.21 -35.63 65.09 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.132 1.333 . . . . 0.0 109.079 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.3 tp -33.03 135.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 O-C-N 124.421 1.076 . . . . 0.0 111.679 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -166.82 -47.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.128 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 . . . . . 0 C--N 1.357 0.917 0 CA-C-N 120.527 1.512 . . . . 0.0 110.301 176.134 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.92 165.76 27.13 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.65 148.04 50.01 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.63 -32.15 7.84 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -61.69 -47.57 84.71 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.923 1.361 . . . . 0.0 107.97 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -64.91 -38.52 91.24 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 119.144 -1.023 . . . . 0.0 109.457 -177.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm -60.57 -50.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -57.28 -46.75 82.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.791 -0.764 . . . . 0.0 109.308 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.68 -38.59 88.38 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.329 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.4 -45.06 81.24 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.798 0.726 . . . . 0.0 109.763 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -66.59 -46.76 74.87 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.91 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -36.62 75.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.51 68.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 ttp -52.44 -49.49 64.47 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.931 1.241 . . . . 0.0 109.644 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -55.91 -47.12 78.03 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -76.68 -19.9 57.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.327 -1.32 . . . . 0.0 113.183 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.59 -52.09 39.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 121.317 1.871 . . . . 0.0 107.218 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -58.58 -38.44 77.92 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 118.435 -1.306 . . . . 0.0 108.993 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.32 -55.06 27.71 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 118.168 -0.92 . . . . 0.0 109.899 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.4 -53.06 62.52 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.461 1.028 . . . . 0.0 108.61 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -46.39 -42.9 15.76 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.593 1.088 . . . . 0.0 110.327 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -72.91 -43.11 62.84 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 118.69 0.677 . . . . 0.0 111.098 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.31 -56.99 11.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -47.97 -39.33 19.12 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.703 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -63.54 -43.49 96.94 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.095 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.92 -51.91 66.2 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.942 1.246 . . . . 0.0 108.613 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.08 -44.54 79.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.211 0.914 . . . . 0.0 108.98 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.36 96.55 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.415 -0.802 . . . . 0.0 108.977 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -100.89 48.03 0.91 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -151.43 -65.22 0.18 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.19 -28.22 41.55 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-O 117.491 -1.727 . . . . 0.0 111.95 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -103.18 -42.25 5.82 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.255 1.527 . . . . 0.0 110.549 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -70.48 -55.71 8.32 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.826 1.648 . . . . 0.0 109.027 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.3 -32.81 68.79 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 118.123 -0.941 . . . . 0.0 109.846 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -77.94 -25.07 48.05 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.357 -0.83 . . . . 0.0 111.661 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 52.58 61.46 3.18 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.851 0.75 . . . . 0.0 110.856 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 51.23 42.29 28.74 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 50.3 -121.04 1.63 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 116.516 -1.706 . . . . 0.0 109.212 -175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -91.37 -10.69 40.24 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.369 1.895 . . . . 0.0 112.147 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -69.18 144.71 13.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-N 120.474 1.488 . . . . 0.0 107.162 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -108.12 149.17 28.84 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.355 0.837 0 CA-C-N 119.28 0.945 . . . . 0.0 109.983 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 118.497 -0.764 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.67 165.59 0.84 Allowed 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.992 0.815 . . . . 0.0 110.797 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 52.59 42.32 31.43 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.017 0.826 . . . . 0.0 108.781 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.84 -28.61 25.76 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.116 177.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -50.99 -41.59 59.75 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.101 1.951 . . . . 0.0 112.259 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.46 -36.29 65.84 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.961 1.255 . . . . 0.0 108.821 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.78 -47.91 91.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 t -58.18 -49.22 77.78 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.95 -37.47 76.81 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.079 0.854 . . . . 0.0 110.924 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -72.98 -48.38 37.0 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.951 0.796 . . . . 0.0 110.014 -175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -64.34 -45.5 87.56 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mm -58.29 -47.37 87.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.32 77.1 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.521 1.055 . . . . 0.0 109.215 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -48.74 79.36 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 120.143 1.338 . . . . 0.0 108.78 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.66 -38.3 84.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.5 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -79.53 -45.26 19.61 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.9 mt -45.06 -47.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 117.583 -1.199 . . . . 0.0 110.559 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -63.19 -42.03 99.28 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.63 1.559 . . . . 0.0 109.234 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.57 -54.7 35.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.082 0.856 . . . . 0.0 108.815 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.47 -49.14 56.03 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.643 0.656 . . . . 0.0 109.271 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -57.59 -44.93 85.76 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.613 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -67.78 -39.34 84.08 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 119.676 -0.81 . . . . 0.0 110.262 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.64 -58.44 5.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.6 p30 -57.55 -28.71 63.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.253 0.933 . . . . 0.0 110.297 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -65.27 -51.89 57.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.382 0.992 . . . . 0.0 108.67 173.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.58 -42.79 67.96 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.82 1.191 . . . . 0.0 109.684 178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.22 -41.38 97.05 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.37 70.91 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.351 0.978 . . . . 0.0 110.286 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -84.96 24.12 1.11 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.791 -1.1 . . . . 0.0 111.499 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -145.98 -61.69 0.32 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.483 1.492 . . . . 0.0 109.479 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.72 -28.39 1.1 Allowed Glycine 0 C--N 1.354 1.583 0 CA-C-O 117.452 -1.749 . . . . 0.0 114.541 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 -50.46 1.84 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.278 1.539 . . . . 0.0 110.972 177.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -51.75 -41.68 61.76 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.651 1.569 . . . . 0.0 109.515 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.52 -22.24 30.24 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.461 -1.256 . . . . 0.0 111.527 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -60.74 2.93 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.821 2.1 . . . . 0.0 108.516 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -28.49 55.78 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.115 -1.421 . . . . 0.0 112.354 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 tptt 35.36 46.27 0.25 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 112.044 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -99.75 -49.98 4.19 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -43.83 -35.11 1.8 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.204 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 tp -45.83 140.67 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 117.608 -1.186 . . . . 0.0 110.026 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 t -65.4 -49.25 69.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.515 1.507 . . . . 0.0 109.18 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.353 0.738 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 176.692 . . . . . . . . 0 0 . 1 stop_ save_