data_5mmk_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 5mmk _Structure_validation_residue.Date_analyzed 2017-09-01 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 ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 50.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 50.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 50.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 50.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 50.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 50.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 50.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.204 -1.327 0 CA-C-O 119.115 -0.469 . . . . 50.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 50.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 50.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 50.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 50.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 50.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 50.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 50.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 50.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 50.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 50.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 50.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 50.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 50.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 50.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 50.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 119.966 -0.064 . . . . 50.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 50.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 50.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 50.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 50.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 50.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 50.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 50.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 50.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 50.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.219 -0.544 0 N-CA-C 109.64 -0.504 . . . . 50.0 109.64 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 50.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 50.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 50.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 50.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 50.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 50.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 50.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 50.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 50.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 50.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 50.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 50.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 50.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 111.108 0.04 . . . . 50.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 50.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 50.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 50.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 50.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 50.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 50.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 110.77 -0.085 . . . . 50.0 110.77 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 50.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 50.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 50.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 50.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 50.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 50.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 50.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 50.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 50.0 113.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 50.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 50.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 50.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 50.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 50.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 50.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 50.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.623 0.249 . . . . 50.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 50.0 116.202 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 50.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 50.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 50.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 50.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 50.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 50.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.214 -0.784 0 N-CA-C 110.29 -0.263 . . . . 50.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 50.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 50.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 50.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 50.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 50.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 50.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 50.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 50.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 110.299 -0.259 . . . . 50.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 50.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 50.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.66 0 N-CA-C 111.704 0.261 . . . . 50.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 50.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 50.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 50.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 50.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 50.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 110.204 -0.295 . . . . 50.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 50.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 50.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 50.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 50.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 50.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 50.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 50.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 50.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 50.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 50.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 50.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 50.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 50.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 50.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 50.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 50.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 50.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.678 0.751 . . . . 50.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 50.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 50.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 50.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 50.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 50.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 50.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 50.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 119.437 -0.316 . . . . 50.0 111.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 50.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 50.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 50.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 50.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 50.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 50.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 119.706 -0.188 . . . . 50.0 110.737 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 50.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 50.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 50.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 50.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 50.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 50.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 C--O 1.205 -1.267 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 50.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 50.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 50.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 50.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 50.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 50.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 50.0 109.625 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 50.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 50.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 50.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 50.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 50.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 50.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 50.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 50.0 105.618 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 50.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 50.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 50.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 50.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 50.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 50.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 50.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 110.136 -0.32 . . . . 50.0 110.136 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 50.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 50.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 50.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 50.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 50.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 50.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 50.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 50.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 50.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 50.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 50.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 50.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 50.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 50.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 50.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 50.0 113.869 -176.319 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 50.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 50.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 50.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 50.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 50.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 50.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 50.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 50.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 50.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 50.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 50.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 50.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 50.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.208 -1.109 0 N-CA-C 109.975 -0.38 . . . . 50.0 109.975 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 50.0 114.324 -175.41 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 50.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 50.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 50.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 50.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 50.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 50.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 50.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 50.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 50.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 50.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 50.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 50.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 50.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.213 -0.861 0 N-CA-C 111.891 0.33 . . . . 50.0 111.891 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 50.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 50.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 50.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 50.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 50.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 50.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 50.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 50.0 109.604 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 50.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 50.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 50.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 50.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 50.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 50.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 112.111 0.411 . . . . 50.0 112.111 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 50.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 50.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 50.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 50.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 50.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 50.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 50.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 50.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 CA-C-O 124.924 2.402 . . . . 50.0 112.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -63.08 -48.94 85.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 112.424 -1.888 . . . . 50.0 109.097 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.89 -44.01 91.04 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 50.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 50.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 50.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 50.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 50.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 50.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 50.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.4 -2.71 57.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -133.04 51.38 2.16 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.145 1.926 . . . . 50.0 112.714 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.51 0 CA-C-N 113.932 -1.486 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.671 0 CA-C-O 124.773 2.318 . . . . 50.0 112.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.79 -35.62 56.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 112.145 -2.027 . . . . 50.0 109.578 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.41 -38.33 74.16 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 115.965 -0.561 . . . . 50.0 111.543 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 50.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 50.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 50.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 50.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 50.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 50.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.84 2.74 53.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -109.73 -46.17 3.55 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.452 1.278 . . . . 50.0 114.452 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.69 0 CA-C-N 115.917 -0.583 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 122.493 1.052 . . . . 50.0 114.663 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.13 -42.15 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.601 -0.941 . . . . 50.0 110.121 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.06 -28.77 69.84 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 50.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 50.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 50.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 50.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 50.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 50.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 50.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 50.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 50.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.36 8.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -129.86 3.93 4.93 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.665 1.728 . . . . 50.0 115.665 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.383 0 O-C-N 121.687 -0.633 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 122.938 1.299 . . . . 50.0 115.128 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.09 -26.38 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 121.091 -1.241 . . . . 50.0 112.433 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.24 -35.34 78.63 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.063 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 50.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 50.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 50.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 50.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 50.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 50.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 50.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 50.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 50.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 2.66 48.18 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -83.76 -46.42 12.25 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.504 1.121 . . . . 50.0 113.481 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.684 0 CA-C-N 115.666 -0.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 122.808 1.227 . . . . 50.0 115.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.66 -28.56 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 104.427 -2.434 . . . . 50.0 104.427 168.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.75 -31.29 72.19 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.041 -0.981 . . . . 50.0 109.64 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 50.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 50.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 50.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 50.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 50.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 50.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.6 2.91 10.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -127.91 -50.06 1.35 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.016 1.487 . . . . 50.0 115.016 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 O-C-N 121.901 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.69 0 CA-C-O 124.387 2.104 . . . . 50.0 113.596 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.76 -38.22 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 113.564 -1.318 . . . . 50.0 107.876 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.58 -34.24 75.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.172 -0.922 . . . . 50.0 112.18 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 50.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 50.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 50.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 50.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 50.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 50.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 50.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.47 2.84 20.49 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -119.11 -50.89 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 125.187 1.395 . . . . 50.0 114.219 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.674 0 O-C-N 121.902 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 CA-C-O 124.632 2.24 . . . . 50.0 112.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mm -60.51 -38.97 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 112.544 -1.828 . . . . 50.0 110.087 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.55 -37.36 78.23 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.083 -0.508 . . . . 50.0 111.108 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 50.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 50.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 50.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 50.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 50.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 50.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.61 2.82 49.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -53.58 4.59 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.324 1.05 . . . . 50.0 113.279 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.47 0 CA-C-N 115.916 -0.584 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 123.654 1.696 . . . . 50.0 115.71 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.15 -44.32 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 114.499 -0.851 . . . . 50.0 109.675 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.69 -37.02 84.8 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.098 -0.501 . . . . 50.0 110.77 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 50.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 50.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 50.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 50.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 50.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 50.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 50.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 50.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.18 2.94 33.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -107.87 -55.35 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.256 1.423 . . . . 50.0 112.136 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.422 3.74 0 CA-C-N 115.923 -0.58 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 122.167 0.87 . . . . 50.0 115.18 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.17 -37.12 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.471 1.109 . . . . 50.0 110.452 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -57.23 -29.19 63.56 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 50.0 113.25 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 50.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 50.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 50.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 50.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 50.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 50.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 50.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.16 -28.1 61.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.08 -20.99 23.64 Favored 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 116.253 1.946 . . . . 50.0 116.253 -172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.538 0 O-C-N 121.694 -0.629 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.921 ' H1 ' ' HG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.495 2.619 0 CA-C-O 122.91 1.284 . . . . 50.0 115.45 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.14 -44.54 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.281 -1.129 . . . . 50.0 110.552 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.44 -30.95 71.98 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.367 -0.379 . . . . 50.0 110.942 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.921 ' HG ' ' H1 ' ' A' ' 1' ' ' GLY . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 50.0 116.202 -171.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 50.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 50.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 50.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 50.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 50.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 50.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.98 2.93 32.27 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -116.06 -53.92 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.159 1.384 . . . . 50.0 113.699 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.603 0 O-C-N 121.93 -0.481 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 CA-C-O 124.452 2.14 . . . . 50.0 113.554 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.32 -28.6 44.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 113.491 -1.355 . . . . 50.0 110.159 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.4 -39.99 77.6 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.95 -0.568 . . . . 50.0 110.29 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 50.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 50.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 50.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 50.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 50.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 50.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 50.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 50.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.15 2.88 37.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -114.9 -52.71 2.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.971 1.308 . . . . 50.0 113.994 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.593 0 O-C-N 121.949 -0.47 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.733 1.185 . . . . 50.0 114.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.2 pt -63.31 -23.75 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 121.027 -1.278 . . . . 50.0 112.693 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.77 -36.09 78.06 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.164 -0.471 . . . . 50.0 110.299 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 50.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 50.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.55 -7.12 54.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -137.81 62.66 1.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 124.192 1.949 . . . . 50.0 113.074 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.391 0 CA-C-N 113.816 -1.538 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 CA-C-O 122.884 1.269 . . . . 50.0 115.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.99 -39.29 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 121.267 -1.137 . . . . 50.0 109.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.1 -37.36 74.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.114 -0.494 . . . . 50.0 111.704 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 50.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 50.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 50.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 50.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 50.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.5 2.87 23.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.65 -49.75 3.12 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 125.245 1.418 . . . . 50.0 113.868 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.651 0 CA-C-N 116.026 -0.533 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 122.906 1.281 . . . . 50.0 115.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.6 mm -57.58 -44.67 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.263 -1.14 . . . . 50.0 110.832 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.13 -41.87 99.39 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.945 -0.302 . . . . 50.0 110.204 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 50.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 50.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 50.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 50.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 50.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 50.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 50.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 50.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 50.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.75 2.89 15.57 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -124.31 -51.1 1.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 125.084 1.354 . . . . 50.0 114.272 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.581 0 O-C-N 121.938 -0.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.765 0 CA-C-O 124.851 2.362 . . . . 50.0 113.092 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.5 pt -63.83 -27.86 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 112.83 -1.685 . . . . 50.0 111.773 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -38.14 89.83 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 50.0 110.018 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 50.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 50.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 50.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 50.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 50.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 50.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 50.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.33 2.91 14.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HZ3' ' HB3' ' A' ' 16' ' ' LYS . 5.1 ttpm? -145.87 58.5 1.24 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-O 124.225 1.964 . . . . 50.0 112.746 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.339 0 CA-C-N 113.881 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.547 0 CA-C-O 123.655 1.697 . . . . 50.0 114.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -29.26 44.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 O-C-N 120.071 -1.841 . . . . 50.0 106.876 -176.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.03 -27.73 63.82 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 126.406 2.316 . . . . 50.0 112.551 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 50.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 50.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 50.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 50.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 50.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 50.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 50.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 3.47 10.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -136.29 -46.5 0.63 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 114.948 1.462 . . . . 50.0 114.948 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.502 0 O-C-N 121.91 -0.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.873 0 CA-C-O 124.001 1.889 . . . . 50.0 115.374 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.23 -38.3 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.082 -1.059 . . . . 50.0 110.319 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.99 -38.81 76.8 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.349 -0.387 . . . . 50.0 111.498 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 50.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 50.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 50.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 50.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 50.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 50.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.16 2.96 32.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -119.69 -50.52 2.3 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.027 1.491 . . . . 50.0 115.027 -175.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.613 0 O-C-N 121.821 -0.55 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 CA-C-O 123.083 1.379 . . . . 50.0 115.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 pp -58.47 -23.19 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.528 1.307 . . . . 50.0 114.528 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.83 -35.36 72.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.569 -0.287 . . . . 50.0 110.737 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 50.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 50.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 50.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 50.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 50.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 50.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.68 3.17 17.17 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -119.98 -12.37 9.16 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 115.909 1.818 . . . . 50.0 115.909 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.547 0 O-C-N 121.843 -0.535 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 124.427 2.126 . . . . 50.0 113.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.11 -51.93 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 112.288 -1.956 . . . . 50.0 109.49 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp -69.07 -42.61 76.01 Favored 'General case' 0 C--O 1.205 -1.267 0 C-N-CA 120.477 -0.489 . . . . 50.0 109.79 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 50.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 50.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 50.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 50.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 50.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 50.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.78 1.92 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -109.19 -48.09 3.31 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.913 1.285 . . . . 50.0 113.815 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.578 0 CA-C-N 115.941 -0.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.848 0 CA-C-O 124.93 2.406 . . . . 50.0 112.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.2 pt -63.96 -22.69 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 112.639 -1.781 . . . . 50.0 112.394 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.95 -38.47 79.11 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 50.0 109.625 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 50.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 50.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 50.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 50.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 50.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 50.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 50.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.44 2.92 49.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.4 -39.39 3.37 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.668 1.729 . . . . 50.0 115.668 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.338 0 O-C-N 121.968 -0.457 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 CA-C-O 124.348 2.082 . . . . 50.0 115.785 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.58 -38.56 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.777 -1.211 . . . . 50.0 108.48 -178.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.38 -40.8 57.57 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 50.0 105.618 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 50.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 50.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 50.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 50.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 50.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 50.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 50.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -14.77 62.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.59 65.03 1.58 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 124.686 2.184 . . . . 50.0 112.43 -178.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.409 3.179 0 CA-C-N 113.638 -1.619 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 122.87 1.261 . . . . 50.0 115.378 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 pt -63.81 -22.92 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.128 -1.219 . . . . 50.0 113.123 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.493 -0.322 . . . . 50.0 110.136 178.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 50.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 50.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 50.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 50.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 50.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 50.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 50.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 50.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.61 2.93 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -128.61 -49.97 1.26 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.692 1.738 . . . . 50.0 115.692 -175.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.491 0 O-C-N 121.862 -0.524 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 122.707 1.171 . . . . 50.0 115.274 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -36.15 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.6 -0.941 . . . . 50.0 110.685 -178.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.91 -30.95 59.53 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 178.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 50.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 50.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 50.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 50.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 50.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 50.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 50.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.32 2.69 12.7 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -134.87 -32.83 0.96 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 116.084 1.883 . . . . 50.0 116.084 -178.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.695 0 O-C-N 121.735 -0.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.829 ' H1 ' ' HG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 123.467 1.593 . . . . 50.0 115.492 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.55 -48.1 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 121.283 -1.128 . . . . 50.0 110.628 -176.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.61 -44.65 93.34 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.829 ' HG ' ' H1 ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 50.0 113.869 -176.319 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 50.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 50.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 50.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 50.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 50.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 50.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.88 1.56 17.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -140.74 59.01 1.55 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 124.217 1.961 . . . . 50.0 112.382 -178.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.571 0 CA-C-N 113.984 -1.462 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.983 0 CA-C-O 125.105 2.503 . . . . 50.0 113.101 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.21 -41.19 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 112.422 -1.889 . . . . 50.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.48 -36.73 83.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 50.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 50.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 50.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 50.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 50.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 50.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 50.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.83 4.4 29.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.09 -40.72 2.58 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 116.158 1.91 . . . . 50.0 116.158 -174.235 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.462 0 O-C-N 121.824 -0.548 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.843 ' H1 ' ' HG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.493 2.485 0 CA-C-O 122.656 1.142 . . . . 50.0 115.149 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -60.89 -52.11 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.675 -0.897 . . . . 50.0 110.667 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.14 -45.12 86.35 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 120.178 -0.609 . . . . 50.0 109.975 -179.516 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.843 ' HG ' ' H1 ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 50.0 114.324 -175.41 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 50.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 50.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 50.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 50.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 50.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 50.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 50.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 -5.48 46.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -141.26 63.07 1.45 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 124.454 2.073 . . . . 50.0 112.723 -177.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.482 0 CA-C-N 113.599 -1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 124.889 2.383 . . . . 50.0 112.979 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 pt -64.19 -26.31 40.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 112.755 -1.723 . . . . 50.0 112.205 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.91 -40.9 94.87 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 50.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 50.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 50.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 50.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 50.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 50.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 2.87 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -106.89 -42.65 4.87 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.284 1.587 . . . . 50.0 115.284 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.517 0 CA-C-N 116.34 -0.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 124.558 2.199 . . . . 50.0 113.043 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 112.462 -1.869 . . . . 50.0 109.735 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -39.37 84.45 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.849 -0.614 . . . . 50.0 111.891 -178.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 50.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 50.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 50.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 50.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 50.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 50.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 50.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.89 2.94 18.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -99.57 -40.02 8.02 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.533 1.308 . . . . 50.0 114.533 -179.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.587 0 CA-C-N 116.177 -0.465 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.607 0 CA-C-O 124.463 2.146 . . . . 50.0 113.13 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.81 -48.01 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 112.985 -1.607 . . . . 50.0 110.32 -177.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.94 -37.42 85.99 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 50.0 109.604 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 50.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 50.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 50.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 50.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 50.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 50.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 50.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.39 2.99 29.78 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 17.39 15.82 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.274 2.23 . . . . 50.0 112.752 178.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.317 0 O-C-N 121.309 -0.869 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 123.943 1.857 . . . . 50.0 115.435 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -25.35 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 114.164 -1.018 . . . . 50.0 111.871 -179.106 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.27 -26.51 65.0 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.845 -0.616 . . . . 50.0 112.111 178.44 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 50.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 50.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 50.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 50.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 50.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 50.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 50.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 50.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.76 -0.65 48.69 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -142.7 61.05 1.43 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 123.845 1.783 . . . . 50.0 112.693 -177.177 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.27 0 CA-C-N 114.053 -1.431 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 25.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 25.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 25.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 25.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 25.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.204 -1.327 0 CA-C-O 119.115 -0.469 . . . . 25.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 25.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 25.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 25.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 25.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 25.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 25.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 25.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 25.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 25.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 25.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 25.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 119.966 -0.064 . . . . 25.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 25.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 25.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 25.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 25.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 25.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.219 -0.544 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 25.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 25.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 25.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 25.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 25.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 25.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 25.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 25.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 25.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 111.108 0.04 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 25.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 25.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 25.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 25.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 25.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 25.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 110.77 -0.085 . . . . 25.0 110.77 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 25.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 25.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 25.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 25.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 25.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 25.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 25.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 25.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 25.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 25.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 25.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 25.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.623 0.249 . . . . 25.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 25.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 25.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 25.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 25.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 25.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.214 -0.784 0 N-CA-C 110.29 -0.263 . . . . 25.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 25.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 25.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 25.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 25.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 25.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 25.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 110.299 -0.259 . . . . 25.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 25.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 25.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.66 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 25.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 25.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 25.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 25.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 25.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 25.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 25.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 25.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 25.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 25.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 25.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 25.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 25.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 25.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 25.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 25.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 25.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 25.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.678 0.751 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 25.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 25.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 25.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 25.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 25.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 119.437 -0.316 . . . . 25.0 111.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 25.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 25.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 25.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 25.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 25.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 119.706 -0.188 . . . . 25.0 110.737 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 25.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 25.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 25.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 25.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 25.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 25.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 C--O 1.205 -1.267 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 25.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 25.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 25.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 25.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 25.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 25.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 25.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 25.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 25.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 25.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 25.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 25.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 25.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 25.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 25.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 25.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 25.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 25.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 25.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 25.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 25.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 25.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 25.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 25.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 25.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 25.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 25.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 25.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 25.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -176.319 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 25.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 25.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 25.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 25.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 25.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 25.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 25.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 25.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 25.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 25.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 25.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.208 -1.109 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -175.41 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 25.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 25.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 25.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 25.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 25.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 25.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 25.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 25.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 25.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 25.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 25.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.213 -0.861 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 25.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 25.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 25.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 25.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 25.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 25.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 25.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 25.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 25.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 25.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 25.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 25.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 25.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 25.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 25.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 25.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 25.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 25.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 CA-C-O 124.924 2.402 . . . . 25.0 112.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -63.08 -48.94 85.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 112.424 -1.888 . . . . 25.0 109.097 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.89 -44.01 91.04 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 25.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 25.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 25.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 25.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 25.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.4 -2.71 57.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -133.04 51.38 2.16 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.145 1.926 . . . . 25.0 112.714 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.51 0 CA-C-N 113.932 -1.486 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.671 0 CA-C-O 124.773 2.318 . . . . 25.0 112.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.79 -35.62 56.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 112.145 -2.027 . . . . 25.0 109.578 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.41 -38.33 74.16 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.543 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 25.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 25.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 25.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 25.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 25.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 25.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.84 2.74 53.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -109.73 -46.17 3.55 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.69 0 CA-C-N 115.917 -0.583 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 122.493 1.052 . . . . 25.0 114.663 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.13 -42.15 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.601 -0.941 . . . . 25.0 110.121 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.06 -28.77 69.84 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 25.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 25.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 25.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 25.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 25.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.36 8.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -129.86 3.93 4.93 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.665 1.728 . . . . 25.0 115.665 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.383 0 O-C-N 121.687 -0.633 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 122.938 1.299 . . . . 25.0 115.128 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.09 -26.38 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 121.091 -1.241 . . . . 25.0 112.433 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.24 -35.34 78.63 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.063 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 25.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 25.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 25.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 25.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 25.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 2.66 48.18 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -83.76 -46.42 12.25 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.504 1.121 . . . . 25.0 113.481 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.684 0 CA-C-N 115.666 -0.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 122.808 1.227 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.66 -28.56 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 168.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.75 -31.29 72.19 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.64 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 25.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 25.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 25.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 25.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.6 2.91 10.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -127.91 -50.06 1.35 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.016 1.487 . . . . 25.0 115.016 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 O-C-N 121.901 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.69 0 CA-C-O 124.387 2.104 . . . . 25.0 113.596 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.76 -38.22 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 113.564 -1.318 . . . . 25.0 107.876 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.58 -34.24 75.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.18 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 25.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 25.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 25.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 25.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 25.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.47 2.84 20.49 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -119.11 -50.89 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 125.187 1.395 . . . . 25.0 114.219 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.674 0 O-C-N 121.902 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 CA-C-O 124.632 2.24 . . . . 25.0 112.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mm -60.51 -38.97 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 112.544 -1.828 . . . . 25.0 110.087 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.55 -37.36 78.23 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.108 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 25.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 25.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 25.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 25.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 25.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 25.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.61 2.82 49.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -53.58 4.59 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.324 1.05 . . . . 25.0 113.279 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.47 0 CA-C-N 115.916 -0.584 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 123.654 1.696 . . . . 25.0 115.71 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.15 -44.32 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 114.499 -0.851 . . . . 25.0 109.675 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.69 -37.02 84.8 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.77 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 25.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 25.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 25.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 25.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 25.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 25.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.18 2.94 33.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -107.87 -55.35 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.256 1.423 . . . . 25.0 112.136 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.422 3.74 0 CA-C-N 115.923 -0.58 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 122.167 0.87 . . . . 25.0 115.18 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.17 -37.12 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.471 1.109 . . . . 25.0 110.452 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -57.23 -29.19 63.56 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 25.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 25.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 25.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 25.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 25.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 25.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.16 -28.1 61.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.08 -20.99 23.64 Favored 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 116.253 1.946 . . . . 25.0 116.253 -172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.538 0 O-C-N 121.694 -0.629 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 CA-C-O 122.91 1.284 . . . . 25.0 115.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.14 -44.54 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.281 -1.129 . . . . 25.0 110.552 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.44 -30.95 71.98 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.942 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 25.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 25.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 25.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 25.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 25.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.98 2.93 32.27 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -116.06 -53.92 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.159 1.384 . . . . 25.0 113.699 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.603 0 O-C-N 121.93 -0.481 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 CA-C-O 124.452 2.14 . . . . 25.0 113.554 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.32 -28.6 44.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 113.491 -1.355 . . . . 25.0 110.159 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.4 -39.99 77.6 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.29 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 25.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 25.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 25.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 25.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 25.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 25.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.15 2.88 37.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -114.9 -52.71 2.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.971 1.308 . . . . 25.0 113.994 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.593 0 O-C-N 121.949 -0.47 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.733 1.185 . . . . 25.0 114.913 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.2 pt -63.31 -23.75 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 121.027 -1.278 . . . . 25.0 112.693 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.77 -36.09 78.06 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.164 -0.471 . . . . 25.0 110.299 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 25.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 25.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.55 -7.12 54.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -137.81 62.66 1.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 124.192 1.949 . . . . 25.0 113.074 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.391 0 CA-C-N 113.816 -1.538 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 CA-C-O 122.884 1.269 . . . . 25.0 115.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.99 -39.29 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 121.267 -1.137 . . . . 25.0 109.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.1 -37.36 74.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.114 -0.494 . . . . 25.0 111.704 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 25.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 25.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 25.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 25.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.5 2.87 23.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.65 -49.75 3.12 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 125.245 1.418 . . . . 25.0 113.868 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.651 0 CA-C-N 116.026 -0.533 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 122.906 1.281 . . . . 25.0 115.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.6 mm -57.58 -44.67 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.263 -1.14 . . . . 25.0 110.832 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.13 -41.87 99.39 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.204 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 25.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 25.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 25.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 25.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 25.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 25.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 25.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.75 2.89 15.57 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -124.31 -51.1 1.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 125.084 1.354 . . . . 25.0 114.272 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.581 0 O-C-N 121.938 -0.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.765 0 CA-C-O 124.851 2.362 . . . . 25.0 113.092 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.5 pt -63.83 -27.86 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 112.83 -1.685 . . . . 25.0 111.773 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -38.14 89.83 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 25.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 25.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 25.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 25.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 25.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 25.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 25.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.33 2.91 14.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -145.87 58.5 1.24 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-O 124.225 1.964 . . . . 25.0 112.746 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.339 0 CA-C-N 113.881 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.547 0 CA-C-O 123.655 1.697 . . . . 25.0 114.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -29.26 44.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 O-C-N 120.071 -1.841 . . . . 25.0 106.876 -176.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.03 -27.73 63.82 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 126.406 2.316 . . . . 25.0 112.551 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 25.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 25.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 25.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 25.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 25.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 3.47 10.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -136.29 -46.5 0.63 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 114.948 1.462 . . . . 25.0 114.948 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.502 0 O-C-N 121.91 -0.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.873 0 CA-C-O 124.001 1.889 . . . . 25.0 115.374 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.23 -38.3 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.082 -1.059 . . . . 25.0 110.319 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.99 -38.81 76.8 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.498 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 25.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 25.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 25.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 25.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 25.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.16 2.96 32.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -119.69 -50.52 2.3 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.027 1.491 . . . . 25.0 115.027 -175.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.613 0 O-C-N 121.821 -0.55 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 CA-C-O 123.083 1.379 . . . . 25.0 115.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 pp -58.47 -23.19 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.528 1.307 . . . . 25.0 114.528 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.83 -35.36 72.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.737 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 25.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 25.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 25.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 25.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 25.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 25.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.68 3.17 17.17 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -119.98 -12.37 9.16 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.547 0 O-C-N 121.843 -0.535 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 124.427 2.126 . . . . 25.0 113.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.11 -51.93 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 112.288 -1.956 . . . . 25.0 109.49 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp -69.07 -42.61 76.01 Favored 'General case' 0 C--O 1.205 -1.267 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.79 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 25.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 25.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 25.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 25.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 25.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.78 1.92 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -109.19 -48.09 3.31 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.913 1.285 . . . . 25.0 113.815 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.578 0 CA-C-N 115.941 -0.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.848 0 CA-C-O 124.93 2.406 . . . . 25.0 112.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.2 pt -63.96 -22.69 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 112.639 -1.781 . . . . 25.0 112.394 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.95 -38.47 79.11 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 25.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 25.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 25.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 25.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 25.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 25.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.44 2.92 49.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.4 -39.39 3.37 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.338 0 O-C-N 121.968 -0.457 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 CA-C-O 124.348 2.082 . . . . 25.0 115.785 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.58 -38.56 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.777 -1.211 . . . . 25.0 108.48 -178.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.38 -40.8 57.57 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 25.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 25.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 25.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 25.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 25.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -14.77 62.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.59 65.03 1.58 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 124.686 2.184 . . . . 25.0 112.43 -178.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.409 3.179 0 CA-C-N 113.638 -1.619 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 122.87 1.261 . . . . 25.0 115.378 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 pt -63.81 -22.92 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.128 -1.219 . . . . 25.0 113.123 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.493 -0.322 . . . . 25.0 110.136 178.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 25.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 25.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 25.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 25.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 25.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 25.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 25.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.61 2.93 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -128.61 -49.97 1.26 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.692 1.738 . . . . 25.0 115.692 -175.414 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.491 0 O-C-N 121.862 -0.524 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 122.707 1.171 . . . . 25.0 115.274 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -36.15 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.6 -0.941 . . . . 25.0 110.685 -178.058 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.91 -30.95 59.53 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 25.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 25.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 25.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 25.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 25.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 25.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.32 2.69 12.7 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -134.87 -32.83 0.96 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -178.043 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.695 0 O-C-N 121.735 -0.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 123.467 1.593 . . . . 25.0 115.492 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.55 -48.1 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 121.283 -1.128 . . . . 25.0 110.628 -176.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.61 -44.65 93.34 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -176.319 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 25.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 25.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 25.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 25.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 25.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 25.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.88 1.56 17.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -140.74 59.01 1.55 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 124.217 1.961 . . . . 25.0 112.382 -178.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.571 0 CA-C-N 113.984 -1.462 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.983 0 CA-C-O 125.105 2.503 . . . . 25.0 113.101 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.21 -41.19 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 112.422 -1.889 . . . . 25.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.48 -36.73 83.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 25.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 25.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 25.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 25.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 25.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.83 4.4 29.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.09 -40.72 2.58 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.235 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.462 0 O-C-N 121.824 -0.548 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.485 0 CA-C-O 122.656 1.142 . . . . 25.0 115.149 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -60.89 -52.11 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.675 -0.897 . . . . 25.0 110.667 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.14 -45.12 86.35 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 120.178 -0.609 . . . . 25.0 109.975 -179.516 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -175.41 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 25.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 25.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 25.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 25.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 25.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 25.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 -5.48 46.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -141.26 63.07 1.45 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 124.454 2.073 . . . . 25.0 112.723 -177.364 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.482 0 CA-C-N 113.599 -1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 124.889 2.383 . . . . 25.0 112.979 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 pt -64.19 -26.31 40.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 112.755 -1.723 . . . . 25.0 112.205 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.91 -40.9 94.87 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 25.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 25.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 25.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 25.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 25.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 2.87 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -106.89 -42.65 4.87 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.284 1.587 . . . . 25.0 115.284 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.517 0 CA-C-N 116.34 -0.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 124.558 2.199 . . . . 25.0 113.043 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 112.462 -1.869 . . . . 25.0 109.735 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -39.37 84.45 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.891 -178.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 25.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 25.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 25.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 25.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 25.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 25.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.89 2.94 18.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -99.57 -40.02 8.02 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.533 1.308 . . . . 25.0 114.533 -179.03 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.587 0 CA-C-N 116.177 -0.465 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.607 0 CA-C-O 124.463 2.146 . . . . 25.0 113.13 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.81 -48.01 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 112.985 -1.607 . . . . 25.0 110.32 -177.524 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.94 -37.42 85.99 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 25.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 25.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 25.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 25.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 25.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 25.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.39 2.99 29.78 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 17.39 15.82 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.274 2.23 . . . . 25.0 112.752 178.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.317 0 O-C-N 121.309 -0.869 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 123.943 1.857 . . . . 25.0 115.435 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -25.35 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 114.164 -1.018 . . . . 25.0 111.871 -179.106 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.27 -26.51 65.0 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.845 -0.616 . . . . 25.0 112.111 178.44 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 25.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 25.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 25.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 25.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 25.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 25.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.76 -0.65 48.69 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -142.7 61.05 1.43 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 123.845 1.783 . . . . 25.0 112.693 -177.177 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.27 0 CA-C-N 114.053 -1.431 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 25.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 25.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 25.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 25.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 25.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.204 -1.327 0 CA-C-O 119.115 -0.469 . . . . 25.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 25.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 25.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 25.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 25.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 25.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 25.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 25.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 25.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 25.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 25.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 25.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp . . . . . 0 C--O 1.215 -0.744 0 CA-C-O 119.966 -0.064 . . . . 25.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 25.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 25.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 25.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 25.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 25.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 C--O 1.219 -0.544 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 25.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 25.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 25.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 25.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 25.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 25.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 25.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 25.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 25.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.212 -0.876 0 N-CA-C 111.108 0.04 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 25.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 25.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 25.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 25.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 25.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 25.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 110.77 -0.085 . . . . 25.0 110.77 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 25.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 25.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 25.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 25.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 25.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 25.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp . . . . . 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 25.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 25.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 25.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 25.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 25.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 25.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.623 0.249 . . . . 25.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 25.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 25.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 25.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 25.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 25.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.214 -0.784 0 N-CA-C 110.29 -0.263 . . . . 25.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 25.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 25.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 25.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 25.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 25.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 25.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 110.299 -0.259 . . . . 25.0 110.299 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 25.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 25.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.66 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 25.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 25.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 25.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 25.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 25.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 25.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 25.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 25.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 25.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 25.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 25.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 25.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 25.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 25.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 25.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 25.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 25.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 25.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.678 0.751 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 25.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 25.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 25.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 25.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 25.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 119.437 -0.316 . . . . 25.0 111.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 25.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 25.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 25.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 25.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 25.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp . . . . . 0 C--O 1.216 -0.692 0 CA-C-O 119.706 -0.188 . . . . 25.0 110.737 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 25.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 25.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 25.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 25.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 25.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 25.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 C--O 1.205 -1.267 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 25.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 25.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 25.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 25.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 25.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 25.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 25.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 25.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 25.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 25.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 25.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 25.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 25.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 25.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 25.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 25.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 110.136 -0.32 . . . . 25.0 110.136 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 25.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 25.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 25.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 25.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 25.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 25.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 25.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 25.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 25.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 25.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 25.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 25.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 25.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -176.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 25.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 25.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 25.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 25.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 25.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 25.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 25.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 25.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 25.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 25.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 25.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.208 -1.109 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -175.41 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 25.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 25.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 25.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 25.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 25.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 25.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 25.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 25.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 25.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 25.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 25.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp . . . . . 0 C--O 1.213 -0.861 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 25.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 25.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 25.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 25.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 25.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 25.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 25.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 25.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 25.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 25.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 25.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 25.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 112.111 0.411 . . . . 25.0 112.111 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 25.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 25.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 25.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 25.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 25.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 25.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 CA-C-O 124.924 2.402 . . . . 25.0 112.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -63.08 -48.94 85.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 112.424 -1.888 . . . . 25.0 109.097 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.0 tp -64.89 -44.01 91.04 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -58.97 -33.7 70.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.813 1.042 . . . . 25.0 113.813 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -70.47 -43.36 69.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.263 0.554 . . . . 25.0 110.429 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.61 -36.27 73.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.3 t90 -58.84 -46.26 88.11 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.206 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.29 -25.83 63.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.343 -0.848 . . . . 25.0 111.381 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.99 -43.51 71.29 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -20.37 59.15 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -53.13 -25.77 14.46 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.96 0.504 . . . . 25.0 111.775 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -52.87 -37.74 60.77 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 174.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.43 -35.07 37.98 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 CA-C-O 121.334 0.587 . . . . 25.0 109.522 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.29 -32.31 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 121.74 0.781 . . . . 25.0 109.455 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.4 -2.71 57.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.455 -0.793 . . . . 25.0 112.625 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -133.04 51.38 2.16 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 124.145 1.926 . . . . 25.0 112.714 -174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.51 0 CA-C-N 113.932 -1.486 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.671 0 CA-C-O 124.773 2.318 . . . . 25.0 112.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.79 -35.62 56.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 112.145 -2.027 . . . . 25.0 109.578 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.41 -38.33 74.16 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.543 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.4 t -59.25 -37.37 77.42 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.761 0.71 . . . . 25.0 112.631 -176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -68.7 -41.27 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.12 0.486 . . . . 25.0 110.735 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -70.46 -38.26 74.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.354 0.597 . . . . 25.0 109.748 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -58.42 -44.57 89.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 25.0 111.336 -177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -72.02 -25.89 61.99 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.414 -0.804 . . . . 25.0 111.748 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.01 -50.06 63.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.01 -20.31 62.42 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -53.14 -26.32 16.46 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.103 0.41 . . . . 25.0 110.983 176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -56.41 -35.13 67.43 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 121.769 -0.582 . . . . 25.0 112.476 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.64 -36.38 40.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.34 -31.84 55.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.842 0.83 . . . . 25.0 109.306 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.84 2.74 53.13 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.213 -0.903 . . . . 25.0 113.254 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -109.73 -46.17 3.55 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.69 0 CA-C-N 115.917 -0.583 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 122.493 1.052 . . . . 25.0 114.663 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.13 -42.15 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.601 -0.941 . . . . 25.0 110.121 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.06 -28.77 69.84 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 t -53.32 -31.92 46.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.876 1.435 . . . . 25.0 114.876 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -49.75 66.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.819 -0.551 . . . . 25.0 110.9 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 tp -68.85 -38.76 79.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -58.96 -46.4 88.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.603 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -70.9 -25.81 62.94 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 121.347 -0.846 . . . . 25.0 111.433 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.55 -43.87 68.62 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.37 -20.17 60.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.351 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -57.72 -21.84 43.17 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -57.08 -33.43 67.28 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.8 -0.562 . . . . 25.0 110.564 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.85 -39.03 51.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.348 0.594 . . . . 25.0 109.79 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -70.4 -32.05 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-O 121.807 0.813 . . . . 25.0 111.558 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.36 8.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -129.86 3.93 4.93 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.665 1.728 . . . . 25.0 115.665 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.383 0 O-C-N 121.687 -0.633 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 122.938 1.299 . . . . 25.0 115.128 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.09 -26.38 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 121.091 -1.241 . . . . 25.0 112.433 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.24 -35.34 78.63 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.063 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -58.43 -29.1 65.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -69.55 -48.59 59.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.411 0.624 . . . . 25.0 109.919 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -66.57 -38.11 86.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 25.0 109.496 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -59.32 -44.39 92.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.636 -0.711 . . . . 25.0 111.547 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.49 -25.88 62.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.28 -0.888 . . . . 25.0 111.829 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.13 -49.65 64.12 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.153 -0.619 . . . . 25.0 109.429 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.9 -20.36 64.24 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.893 -0.323 . . . . 25.0 111.775 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -55.37 -26.24 40.04 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.185 -0.322 . . . . 25.0 111.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -58.02 -34.6 70.22 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.415 -0.803 . . . . 25.0 111.974 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.93 -37.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.7 -35.26 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 121.553 0.692 . . . . 25.0 109.584 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 2.66 48.18 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -83.76 -46.42 12.25 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.504 1.121 . . . . 25.0 113.481 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.684 0 CA-C-N 115.666 -0.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 122.808 1.227 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.66 -28.56 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 168.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.75 -31.29 72.19 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.041 -0.981 . . . . 25.0 109.64 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 54.5 p -58.12 -31.53 67.27 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.793 1.034 . . . . 25.0 113.793 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -41.4 84.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.342 0.591 . . . . 25.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -74.77 -38.63 62.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -59.26 -45.47 91.1 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.794 -0.639 . . . . 25.0 111.838 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -72.29 -25.88 61.76 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.288 -0.882 . . . . 25.0 111.208 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.92 -47.36 71.97 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.2 -20.37 59.32 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.847 0.684 . . . . 25.0 112.847 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -53.25 -26.08 16.75 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.104 0.411 . . . . 25.0 112.105 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -54.77 -35.06 63.4 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.824 -0.547 . . . . 25.0 112.213 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.3 mt -74.57 -36.82 42.37 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.29 -31.64 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 121.945 0.879 . . . . 25.0 109.375 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.6 2.91 10.6 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -127.91 -50.06 1.35 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.016 1.487 . . . . 25.0 115.016 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.5 0 O-C-N 121.901 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.69 0 CA-C-O 124.387 2.104 . . . . 25.0 113.596 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.76 -38.22 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 113.564 -1.318 . . . . 25.0 107.876 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.58 -34.24 75.27 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.18 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 t -54.08 -35.66 62.33 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -57.9 -49.28 77.26 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.67 -0.644 . . . . 25.0 110.828 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -34.94 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.998 0.428 . . . . 25.0 111.13 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -60.23 -46.72 88.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.223 0.535 . . . . 25.0 111.035 -178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.27 -25.87 61.77 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 121.456 -0.777 . . . . 25.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.28 -47.13 71.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.27 -20.31 59.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -52.41 -26.15 11.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.8 0.44 . . . . 25.0 112.135 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -54.25 -32.97 57.42 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.773 -0.579 . . . . 25.0 112.479 175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.54 -38.01 45.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.81 -32.29 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-O 121.895 0.855 . . . . 25.0 109.28 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.47 2.84 20.49 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.178 -0.919 . . . . 25.0 113.205 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -119.11 -50.89 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 125.187 1.395 . . . . 25.0 114.219 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.674 0 O-C-N 121.902 -0.499 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 CA-C-O 124.632 2.24 . . . . 25.0 112.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mm -60.51 -38.97 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 112.544 -1.828 . . . . 25.0 110.087 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.55 -37.36 78.23 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.108 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.74 -33.22 71.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -65.73 -44.41 86.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.059 0.457 . . . . 25.0 110.968 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -72.02 -39.07 69.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.619 0.723 . . . . 25.0 109.567 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -57.91 -43.27 86.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.056 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.74 -25.89 63.12 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.372 -0.83 . . . . 25.0 111.94 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.18 -48.47 57.11 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.4 -20.35 63.81 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -54.64 -26.1 30.92 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 122.167 -0.333 . . . . 25.0 111.052 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.03 -35.23 66.65 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.625 -0.672 . . . . 25.0 112.029 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.65 -37.39 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 25.0 109.375 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.18 -35.59 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 121.701 0.762 . . . . 25.0 109.811 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.61 2.82 49.87 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.333 -0.849 . . . . 25.0 113.07 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -53.58 4.59 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.324 1.05 . . . . 25.0 113.279 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.47 0 CA-C-N 115.916 -0.584 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 123.654 1.696 . . . . 25.0 115.71 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.15 -44.32 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 114.499 -0.851 . . . . 25.0 109.675 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.69 -37.02 84.8 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.77 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 m -59.42 -30.22 68.31 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 m -66.62 -40.31 88.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 25.0 111.097 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.26 -39.43 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 25.0 109.353 176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -57.94 -45.24 86.9 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.456 -176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -68.69 -27.42 65.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.249 -0.907 . . . . 25.0 111.678 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.38 -47.85 58.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.019 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.611 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -59.42 -21.23 59.66 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 112.122 0.416 . . . . 25.0 112.122 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -59.07 -35.05 72.71 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 121.583 -0.698 . . . . 25.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.13 -36.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.597 . . . . 25.0 109.663 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.82 -33.19 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-O 121.757 0.789 . . . . 25.0 109.524 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.18 2.94 33.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.023 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -107.87 -55.35 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.256 1.423 . . . . 25.0 112.136 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.422 3.74 0 CA-C-N 115.923 -0.58 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 122.167 0.87 . . . . 25.0 115.18 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.5 mt -56.17 -37.12 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.471 1.109 . . . . 25.0 110.452 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -57.23 -29.19 63.56 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -54.58 -35.01 62.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -64.9 -50.5 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.806 -0.559 . . . . 25.0 110.676 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.99 -36.27 81.8 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.824 0.821 . . . . 25.0 109.285 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -58.03 -44.97 87.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.433 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -71.59 -23.55 61.75 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.657 -1.277 . . . . 25.0 112.053 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.2 -41.68 76.8 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.231 -0.918 . . . . 25.0 109.193 172.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.15 -20.7 57.35 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.216 0.451 . . . . 25.0 112.216 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -52.72 -25.53 11.36 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 123.735 0.814 . . . . 25.0 112.223 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.56 -32.76 63.28 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.8 mt -74.25 -35.83 41.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -71.11 -35.19 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.488 0.661 . . . . 25.0 109.626 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.16 -28.1 61.15 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -89.08 -20.99 23.64 Favored 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 116.253 1.946 . . . . 25.0 116.253 -172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.538 0 O-C-N 121.694 -0.629 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 CA-C-O 122.91 1.284 . . . . 25.0 115.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.0 mt -63.14 -44.54 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.281 -1.129 . . . . 25.0 110.552 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.44 -30.95 71.98 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.942 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -60.95 -28.14 68.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -171.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -69.79 -51.37 34.46 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.351 0.978 . . . . 25.0 108.937 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.22 -35.61 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.581 -0.736 . . . . 25.0 109.578 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -61.03 -46.07 92.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.081 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -72.29 -28.69 63.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.378 -0.827 . . . . 25.0 110.563 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -63.3 -48.76 76.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -20.31 59.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 25.0 111.494 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -52.78 -26.18 13.53 Favored 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 122.33 0.252 . . . . 25.0 111.364 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -53.95 -35.12 61.4 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.675 -0.64 . . . . 25.0 112.064 175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.0 mt -74.64 -37.04 42.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.22 -32.14 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-O 121.902 0.858 . . . . 25.0 109.339 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.98 2.93 32.27 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.143 -0.935 . . . . 25.0 112.734 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -116.06 -53.92 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 125.159 1.384 . . . . 25.0 113.699 -177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.603 0 O-C-N 121.93 -0.481 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 CA-C-O 124.452 2.14 . . . . 25.0 113.554 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.32 -28.6 44.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 113.491 -1.355 . . . . 25.0 110.159 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.4 -39.99 77.6 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.29 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.7 t -58.23 -37.55 75.09 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.04 -42.3 85.09 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.747 -0.595 . . . . 25.0 111.321 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 tp -76.6 -40.86 48.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 25.0 110.418 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.7 t90 -59.55 -47.67 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.29 0.636 . . . . 25.0 112.228 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.59 -26.0 62.42 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.739 -0.601 . . . . 25.0 110.53 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.29 -45.09 67.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.56 -20.32 60.66 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.097 -0.377 . . . . 25.0 111.376 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -54.37 -24.63 20.37 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 122.677 0.391 . . . . 25.0 111.201 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.86 -35.04 61.1 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 121.965 -0.459 . . . . 25.0 111.912 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.59 -36.94 42.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.17 -32.15 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.885 0.85 . . . . 25.0 109.268 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.15 2.88 37.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.704 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -114.9 -52.71 2.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 124.971 1.308 . . . . 25.0 113.994 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.593 0 O-C-N 121.949 -0.47 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.733 1.185 . . . . 25.0 114.913 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.2 pt -63.31 -23.75 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 O-C-N 121.027 -1.278 . . . . 25.0 112.693 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.77 -36.09 78.06 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.164 -0.471 . . . . 25.0 110.299 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.5 m -59.77 -30.15 68.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -66.5 -40.6 89.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.341 0.591 . . . . 25.0 110.81 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -74.82 -40.13 61.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -60.21 -45.71 92.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 25.0 112.803 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -71.09 -25.99 62.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.021 -1.05 . . . . 25.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.89 -45.83 80.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.18 -20.28 59.4 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.36 -26.47 12.44 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.16 -35.03 66.73 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.52 -36.81 42.62 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.68 -33.94 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 121.749 0.785 . . . . 25.0 109.287 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.55 -7.12 54.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.415 -0.811 . . . . 25.0 113.153 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -137.81 62.66 1.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 124.192 1.949 . . . . 25.0 113.074 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.391 0 CA-C-N 113.816 -1.538 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 CA-C-O 122.884 1.269 . . . . 25.0 115.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.5 mt -60.99 -39.29 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 O-C-N 121.267 -1.137 . . . . 25.0 109.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.1 -37.36 74.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.114 -0.494 . . . . 25.0 111.704 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -58.78 -29.73 67.04 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.494 0.924 . . . . 25.0 113.494 -175.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -67.33 -49.23 64.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 tp -67.24 -38.62 85.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.452 0.644 . . . . 25.0 110.05 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -57.04 -42.75 81.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.281 -0.872 . . . . 25.0 111.94 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -70.08 -25.94 63.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.28 -0.888 . . . . 25.0 112.516 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -69.14 -48.17 63.09 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.82 -20.3 62.58 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.16 -26.31 27.2 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -55.2 -34.4 63.89 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.784 -0.572 . . . . 25.0 112.488 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.8 mt -74.56 -35.84 39.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.51 -32.51 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-O 121.798 0.808 . . . . 25.0 108.916 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.5 2.87 23.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.65 -49.75 3.12 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 125.245 1.418 . . . . 25.0 113.868 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.42 3.651 0 CA-C-N 116.026 -0.533 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 122.906 1.281 . . . . 25.0 115.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.6 mm -57.58 -44.67 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.263 -1.14 . . . . 25.0 110.832 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.13 -41.87 99.39 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.204 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -59.26 -33.08 70.61 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -62.31 -44.35 96.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 25.0 111.219 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -36.13 48.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.307 0.575 . . . . 25.0 110.279 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -57.17 -42.52 81.28 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.422 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.08 -25.86 64.65 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.521 -0.737 . . . . 25.0 112.227 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -71.83 -43.31 65.78 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.209 -0.596 . . . . 25.0 109.5 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -24.38 64.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.816 0.341 . . . . 25.0 110.696 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -56.91 -21.38 29.34 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.93 -36.41 67.72 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.132 0.424 . . . . 25.0 110.226 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -74.6 -36.42 40.96 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 CA-C-O 121.339 0.59 . . . . 25.0 109.416 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -29.8 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 121.759 0.79 . . . . 25.0 109.095 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.75 2.89 15.57 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.457 -0.792 . . . . 25.0 113.133 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -124.31 -51.1 1.76 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 125.084 1.354 . . . . 25.0 114.272 -177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.581 0 O-C-N 121.938 -0.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.765 0 CA-C-O 124.851 2.362 . . . . 25.0 113.092 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.5 pt -63.83 -27.86 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 112.83 -1.685 . . . . 25.0 111.773 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -65.06 -38.14 89.83 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.1 m -60.51 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -175.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -67.07 -37.1 83.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 25.0 111.024 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.77 -39.71 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.599 0.714 . . . . 25.0 109.525 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -58.47 -44.66 89.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.815 -175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -67.87 -23.51 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.256 -0.902 . . . . 25.0 112.038 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.49 -44.29 67.97 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.631 -0.668 . . . . 25.0 110.051 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.31 -20.72 60.74 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.181 -0.324 . . . . 25.0 110.951 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.21 -26.09 37.22 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.699 0.285 . . . . 25.0 111.382 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -56.57 -33.48 66.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.138 0.422 . . . . 25.0 112.138 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.75 -38.21 29.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.48 -37.58 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.619 0.723 . . . . 25.0 111.114 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.33 2.91 14.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.641 -0.709 . . . . 25.0 112.683 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -145.87 58.5 1.24 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-O 124.225 1.964 . . . . 25.0 112.746 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.339 0 CA-C-N 113.881 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.547 0 CA-C-O 123.655 1.697 . . . . 25.0 114.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -29.26 44.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.059 0 O-C-N 120.071 -1.841 . . . . 25.0 106.876 -176.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.03 -27.73 63.82 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 126.406 2.316 . . . . 25.0 112.551 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -53.96 -31.88 52.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -67.01 -43.29 83.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.81 -0.556 . . . . 25.0 110.673 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -74.81 -38.78 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -58.01 -44.87 87.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.562 -0.744 . . . . 25.0 111.895 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.76 -21.84 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.437 -0.789 . . . . 25.0 112.05 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -73.22 -47.73 40.89 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.3 -21.14 63.88 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 122.104 -0.373 . . . . 25.0 110.912 179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -55.32 -26.21 39.26 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.358 -0.214 . . . . 25.0 111.388 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.37 -34.13 70.35 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.696 -0.628 . . . . 25.0 112.102 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -74.31 -39.59 49.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.62 -32.61 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.668 0.746 . . . . 25.0 110.858 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 3.47 10.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.191 1.182 . . . . 25.0 114.191 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -136.29 -46.5 0.63 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 114.948 1.462 . . . . 25.0 114.948 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.502 0 O-C-N 121.91 -0.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.873 0 CA-C-O 124.001 1.889 . . . . 25.0 115.374 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.23 -38.3 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 114.082 -1.059 . . . . 25.0 110.319 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.99 -38.81 76.8 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.349 -0.387 . . . . 25.0 111.498 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -60.39 -35.73 76.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -65.26 -43.68 90.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 25.0 110.203 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 tp -70.33 -39.71 74.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.443 0.64 . . . . 25.0 109.932 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -58.54 -45.89 87.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.122 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -68.84 -25.93 64.9 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.392 -0.817 . . . . 25.0 112.176 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.9 -46.63 65.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.15 -20.31 61.62 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -54.57 -26.28 31.35 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 122.22 -0.3 . . . . 25.0 111.627 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.27 -35.03 71.16 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 121.795 -0.566 . . . . 25.0 112.081 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -73.66 -37.36 49.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.86 -34.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.624 0.726 . . . . 25.0 109.506 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.16 2.96 32.88 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -119.69 -50.52 2.3 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.027 1.491 . . . . 25.0 115.027 -175.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.419 3.613 0 O-C-N 121.821 -0.55 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 CA-C-O 123.083 1.379 . . . . 25.0 115.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 pp -58.47 -23.19 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.528 1.307 . . . . 25.0 114.528 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.8 tp -58.83 -35.36 72.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.737 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.3 p -60.39 -32.27 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -69.51 -37.53 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.435 0.636 . . . . 25.0 111.03 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.16 -40.36 59.59 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -58.05 -48.77 79.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.128 -0.942 . . . . 25.0 112.546 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -66.1 -25.89 67.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 120.787 -0.365 . . . . 25.0 111.953 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.12 -42.13 76.47 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.56 -0.856 . . . . 25.0 109.374 175.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -20.91 57.75 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.611 0.226 . . . . 25.0 111.611 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.25 -26.45 39.85 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.77 -0.581 . . . . 25.0 111.853 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.42 -32.04 71.99 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.57 -0.706 . . . . 25.0 111.568 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -75.81 -37.86 35.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.41 -35.19 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.755 0.788 . . . . 25.0 109.371 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.68 3.17 17.17 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.582 0.956 . . . . 25.0 113.582 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -119.98 -12.37 9.16 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 115.909 1.818 . . . . 25.0 115.909 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.547 0 O-C-N 121.843 -0.535 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 124.427 2.126 . . . . 25.0 113.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.11 -51.93 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 112.288 -1.956 . . . . 25.0 109.49 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.7 tp -69.07 -42.61 76.01 Favored 'General case' 0 C--O 1.205 -1.267 0 C-N-CA 120.477 -0.489 . . . . 25.0 109.79 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -56.24 -34.66 66.56 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.758 1.022 . . . . 25.0 113.758 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -66.29 -49.19 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 25.0 110.042 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.55 -36.69 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.144 0.497 . . . . 25.0 110.033 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.78 -47.41 85.79 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 123.141 0.577 . . . . 25.0 111.173 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.67 -25.88 65.02 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.226 -0.921 . . . . 25.0 110.722 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -68.03 -47.07 69.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.32 -20.43 59.08 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -54.88 -23.4 18.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.392 0.515 . . . . 25.0 112.392 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -57.95 -32.43 67.82 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.524 -0.735 . . . . 25.0 111.582 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -76.11 -35.78 29.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.4 -31.36 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.923 0.868 . . . . 25.0 109.031 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.78 1.92 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -109.19 -48.09 3.31 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.913 1.285 . . . . 25.0 113.815 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.578 0 CA-C-N 115.941 -0.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.848 0 CA-C-O 124.93 2.406 . . . . 25.0 112.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.2 pt -63.96 -22.69 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 112.639 -1.781 . . . . 25.0 112.394 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.95 -38.47 79.11 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -60.0 -31.76 70.23 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -69.33 -46.04 68.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 25.0 110.36 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 tp -68.29 -38.81 82.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 25.0 109.665 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.73 -45.44 92.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.183 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -72.25 -25.92 61.81 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.632 -0.667 . . . . 25.0 110.766 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -67.31 -49.13 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.44 -20.3 62.91 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.111 -0.368 . . . . 25.0 111.578 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -55.33 -26.08 38.58 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 122.131 -0.355 . . . . 25.0 111.119 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -55.85 -35.12 66.07 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.357 -0.839 . . . . 25.0 111.695 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.3 -39.21 72.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.4 -31.92 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-O 121.856 0.836 . . . . 25.0 109.58 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.44 2.92 49.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 25.0 113.117 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.4 -39.39 3.37 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.668 1.729 . . . . 25.0 115.668 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.413 3.338 0 O-C-N 121.968 -0.457 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.085 0 CA-C-O 124.348 2.082 . . . . 25.0 115.785 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.58 -38.56 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-N 113.777 -1.211 . . . . 25.0 108.48 -178.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.38 -40.8 57.57 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t -56.69 -33.93 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.788 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -66.2 -44.77 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.992 0.425 . . . . 25.0 111.239 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -71.39 -39.14 71.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.521 0.677 . . . . 25.0 109.819 177.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -59.66 -47.68 84.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.239 -0.891 . . . . 25.0 111.128 -177.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.9 -26.57 62.37 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 121.516 -0.74 . . . . 25.0 110.756 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.66 -47.91 71.04 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 175.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.99 -24.78 61.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.101 -0.374 . . . . 25.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -21.34 49.95 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 111.952 0.352 . . . . 25.0 111.952 176.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.14 -35.03 69.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.618 -0.676 . . . . 25.0 111.662 175.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.61 -37.45 43.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 177.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.36 -30.1 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-O 121.933 0.873 . . . . 25.0 109.877 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.93 -14.77 62.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.332 -0.849 . . . . 25.0 112.34 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.59 65.03 1.58 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 124.686 2.184 . . . . 25.0 112.43 -178.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.409 3.179 0 CA-C-N 113.638 -1.619 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 122.87 1.261 . . . . 25.0 115.378 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 pt -63.81 -22.92 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.128 -1.219 . . . . 25.0 113.123 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 116.493 -0.322 . . . . 25.0 110.136 178.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.9 -31.04 66.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.504 0.928 . . . . 25.0 113.504 -177.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.72 -44.75 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 25.0 110.11 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.8 -35.86 62.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.476 0.655 . . . . 25.0 109.713 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -57.63 -44.37 85.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.435 -178.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -68.65 -23.01 64.37 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.371 -0.831 . . . . 25.0 112.375 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -70.46 -45.88 64.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.587 -0.695 . . . . 25.0 109.611 174.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.64 -20.24 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 122.293 -0.255 . . . . 25.0 111.573 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -53.8 -26.32 23.44 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.054 0.542 . . . . 25.0 111.38 174.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -56.9 -35.08 68.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.992 -0.442 . . . . 25.0 112.18 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -74.67 -38.01 44.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.711 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 178.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.12 -33.53 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.823 0.82 . . . . 25.0 109.935 -177.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.61 2.93 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -179.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -128.61 -49.97 1.26 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.692 1.738 . . . . 25.0 115.692 -175.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.491 0 O-C-N 121.862 -0.524 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 122.707 1.171 . . . . 25.0 115.274 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -36.15 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.6 -0.941 . . . . 25.0 110.685 -178.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -54.91 -30.95 59.53 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 178.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 t -59.64 -27.01 65.97 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -176.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 25.0 110.457 178.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.4 tp -74.76 -38.58 62.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.541 0.686 . . . . 25.0 109.318 177.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -58.34 -46.03 87.0 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.416 -0.811 . . . . 25.0 112.397 -177.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -68.47 -25.92 65.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.294 -0.879 . . . . 25.0 112.013 -178.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.4 -47.99 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 175.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.31 -25.22 63.21 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.572 0.225 . . . . 25.0 111.387 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -54.3 -26.33 28.71 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 122.999 0.52 . . . . 25.0 112.364 175.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -61.7 -30.22 70.6 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.137 -0.977 . . . . 25.0 111.796 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.95 -37.85 54.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 174.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.96 -31.66 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.785 0.802 . . . . 25.0 109.545 177.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.32 2.69 12.7 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -134.87 -32.83 0.96 Allowed 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -178.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.421 3.695 0 O-C-N 121.735 -0.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 123.467 1.593 . . . . 25.0 115.492 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.55 -48.1 89.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 121.283 -1.128 . . . . 25.0 110.628 -176.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.61 -44.65 93.34 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -29.73 65.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.869 1.063 . . . . 25.0 113.869 -176.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -47.83 69.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.676 0.274 . . . . 25.0 110.402 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -33.89 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.395 0.617 . . . . 25.0 109.483 179.087 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 t90 -59.62 -44.19 93.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.713 179.072 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.27 -28.69 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 120.946 -1.096 . . . . 25.0 111.213 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -62.38 -47.67 83.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.605 -0.516 . . . . 25.0 109.605 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -74.28 -21.13 59.88 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -59.21 -21.87 60.17 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 121.757 -0.59 . . . . 25.0 112.095 179.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.9 -30.74 68.03 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 118.456 0.571 . . . . 25.0 111.412 176.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -75.16 -39.06 42.91 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.78 -29.89 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 122.282 1.039 . . . . 25.0 109.531 -179.054 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.88 1.56 17.19 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -140.74 59.01 1.55 Allowed 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 124.217 1.961 . . . . 25.0 112.382 -178.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.571 0 CA-C-N 113.984 -1.462 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.983 0 CA-C-O 125.105 2.503 . . . . 25.0 113.101 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.21 -41.19 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 112.422 -1.889 . . . . 25.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -62.48 -36.73 83.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -55.42 -35.43 65.4 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -176.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -63.95 -45.06 90.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.505 0.669 . . . . 25.0 110.023 -177.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 tp -70.92 -39.46 72.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.177 -0.92 . . . . 25.0 110.044 177.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -60.43 -46.31 90.49 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.084 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -70.47 -22.38 62.68 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.442 -0.786 . . . . 25.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -51.8 21.17 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 172.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.82 -20.54 65.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 117.764 0.256 . . . . 25.0 111.57 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -55.04 -25.83 33.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.789 0.436 . . . . 25.0 112.156 174.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -58.45 -30.51 66.99 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 121.434 -0.791 . . . . 25.0 111.786 177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.58 -39.53 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.96 -35.34 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.753 0.787 . . . . 25.0 109.985 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.83 4.4 29.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.047 1.128 . . . . 25.0 114.047 -178.364 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.09 -40.72 2.58 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.235 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.462 0 O-C-N 121.824 -0.548 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.485 0 CA-C-O 122.656 1.142 . . . . 25.0 115.149 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.1 mt -60.89 -52.11 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.675 -0.897 . . . . 25.0 110.667 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.14 -45.12 86.35 Favored 'General case' 0 C--O 1.208 -1.109 0 C-N-CA 120.178 -0.609 . . . . 25.0 109.975 -179.516 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -34.12 73.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -175.41 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -68.92 -47.97 64.43 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.155 0.502 . . . . 25.0 109.989 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -66.24 -37.66 86.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.69 0.757 . . . . 25.0 109.223 179.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -58.04 -44.42 87.4 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -70.83 -26.84 63.46 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 118.736 -1.186 . . . . 25.0 111.472 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -70.33 -40.06 74.38 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.179 -0.608 . . . . 25.0 109.771 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -20.38 57.02 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.783 0.29 . . . . 25.0 111.783 178.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -55.83 -26.32 45.98 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.751 -0.593 . . . . 25.0 111.089 173.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.28 -34.78 70.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.106 -0.371 . . . . 25.0 111.464 176.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -76.82 -35.72 24.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 177.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.35 -32.28 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-O 121.943 0.878 . . . . 25.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 -5.48 46.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.152 -0.931 . . . . 25.0 113.375 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -141.26 63.07 1.45 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 124.454 2.073 . . . . 25.0 112.723 -177.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.416 3.482 0 CA-C-N 113.599 -1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.677 0 CA-C-O 124.889 2.383 . . . . 25.0 112.979 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 pt -64.19 -26.31 40.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 112.755 -1.723 . . . . 25.0 112.205 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.91 -40.9 94.87 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -60.68 -28.32 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -176.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -72.33 -49.35 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.2 0.524 . . . . 25.0 109.865 178.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -36.29 82.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.508 0.671 . . . . 25.0 109.502 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -58.82 -43.71 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 25.0 111.284 179.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.3 -25.83 61.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.375 -0.828 . . . . 25.0 111.194 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -65.94 -52.88 45.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 174.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -20.23 65.76 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.4 -26.07 28.28 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.829 -0.544 . . . . 25.0 111.098 174.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -57.97 -35.03 70.6 Favored 'General case' 0 C--O 1.217 -0.656 0 O-C-N 121.512 -0.742 . . . . 25.0 111.189 176.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.57 -35.96 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 178.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.47 -32.83 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 121.748 0.785 . . . . 25.0 109.324 178.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.52 2.87 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.868 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -106.89 -42.65 4.87 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.284 1.587 . . . . 25.0 115.284 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.417 3.517 0 CA-C-N 116.34 -0.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.739 0 CA-C-O 124.558 2.199 . . . . 25.0 113.043 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 112.462 -1.869 . . . . 25.0 109.735 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -39.37 84.45 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.891 -178.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -28.09 56.07 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.165 1.543 . . . . 25.0 115.165 -174.137 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -68.98 -48.17 63.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.112 0.482 . . . . 25.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -33.93 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -56.37 -41.24 75.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.777 176.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.25 -25.98 61.83 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.039 -1.038 . . . . 25.0 111.64 178.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.52 -47.45 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 175.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.39 -20.34 60.77 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 179.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.76 -26.2 13.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.48 0.312 . . . . 25.0 111.38 176.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -53.89 -34.91 60.86 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.593 -0.692 . . . . 25.0 112.53 176.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -74.67 -36.54 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.35 0.595 . . . . 25.0 110.041 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.1 -31.58 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 121.834 0.825 . . . . 25.0 109.231 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.89 2.94 18.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -99.57 -40.02 8.02 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.533 1.308 . . . . 25.0 114.533 -179.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.418 3.587 0 CA-C-N 116.177 -0.465 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.607 0 CA-C-O 124.463 2.146 . . . . 25.0 113.13 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.81 -48.01 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 112.985 -1.607 . . . . 25.0 110.32 -177.524 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.94 -37.42 85.99 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.0 t -58.59 -33.73 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -175.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -70.31 -49.3 50.94 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.818 -0.353 . . . . 25.0 111.172 178.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.61 -38.16 90.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.912 0.863 . . . . 25.0 109.526 178.644 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -58.82 -45.0 90.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.919 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -72.39 -27.41 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.329 -0.857 . . . . 25.0 111.669 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.79 -51.87 62.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 174.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 pp -71.16 -20.58 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.567 0.581 . . . . 25.0 112.567 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -55.5 -24.96 34.46 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.975 -0.453 . . . . 25.0 111.917 176.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -58.01 -34.64 70.24 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.537 -0.727 . . . . 25.0 111.417 177.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.66 -36.09 39.57 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.03 -30.89 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.923 0.868 . . . . 25.0 109.553 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.39 2.99 29.78 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.168 -0.924 . . . . 25.0 112.168 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.09 17.39 15.82 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.274 2.23 . . . . 25.0 112.752 178.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.412 3.317 0 O-C-N 121.309 -0.869 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 123.943 1.857 . . . . 25.0 115.435 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -25.35 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 114.164 -1.018 . . . . 25.0 111.871 -179.106 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.27 -26.51 65.0 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.845 -0.616 . . . . 25.0 112.111 178.44 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.0 p -54.98 -30.22 58.76 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -173.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -68.11 -43.95 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.381 0.61 . . . . 25.0 110.859 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.55 -34.5 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 177.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -61.42 -45.66 93.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.509 -0.769 . . . . 25.0 111.386 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -25.92 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.408 -0.808 . . . . 25.0 111.711 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -66.19 -46.55 76.96 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.773 -0.579 . . . . 25.0 109.526 173.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -20.51 60.55 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.13 -0.356 . . . . 25.0 111.621 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -54.41 -26.23 29.34 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.076 0.551 . . . . 25.0 111.946 175.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.02 -35.15 70.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.898 -0.501 . . . . 25.0 111.271 176.095 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.56 -36.93 42.74 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.23 -35.95 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.708 0.766 . . . . 25.0 109.261 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.76 -0.65 48.69 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -142.7 61.05 1.43 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 123.845 1.783 . . . . 25.0 112.693 -177.177 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.27 0 CA-C-N 114.053 -1.431 . . . . 25.0 . . . . . . . . . . 0 0 . 1 stop_ save_