data_2mkb_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 2mkb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.01 0.433 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.909 0.385 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 120.863 0.363 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 120.853 0.358 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.772 0.32 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 120.782 0.325 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.89 0.376 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.947 0.403 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 5' ' ' SER . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.757 0.313 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 120.81 0.338 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.149 0.5 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.254 0.549 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 120.832 0.349 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.659 0.266 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.992 0.425 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 121.07 0.462 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.13 0.491 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 120.978 0.418 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CE2' HG23 ' A' ' 15' ' ' VAL . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 120.906 0.384 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 121.207 0.527 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.121 0.486 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.311 0.576 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.702 0.287 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.727 0.298 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.972 0.415 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.054 0.454 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -158.42 108.36 2.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.386 -0.821 . . . . 0.0 110.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.94 -25.64 13.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.494 -0.754 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.509 ' HA ' ' CD2' ' A' ' 7' ' ' TYR . 48.3 p90 -102.14 13.52 34.46 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.211 -0.931 . . . . 0.0 111.282 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.533 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -79.43 -21.5 45.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.149 -0.97 . . . . 0.0 110.878 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 4' ' ' TYR . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.96 -40.26 6.26 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.71 -27.16 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.478 -1.013 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -99.54 25.02 7.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.265 -0.897 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.21 45.09 0.26 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.24 -0.912 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.99 33.91 3.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.319 -0.863 . . . . 0.0 110.707 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.8 mttt . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.679 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.256 0.551 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.18 138.87 18.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 109.988 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.14 156.42 0.1 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.826 -0.546 . . . . 0.0 110.48 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.6 p90 38.2 32.5 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.584 0 CA-C-O 121.156 0.503 . . . . 0.0 112.148 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -103.66 -37.31 7.56 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.991 -1.068 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.24 -38.44 1.97 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.59 -22.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.219 -1.165 . . . . 0.0 111.3 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.25 9.08 38.3 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.104 -0.998 . . . . 0.0 111.209 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -138.85 29.93 2.29 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.094 -1.003 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -108.36 -14.45 14.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.294 -0.879 . . . . 0.0 110.866 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.2 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.283 0.563 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.28 35.94 1.35 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.429 -0.794 . . . . 0.0 110.486 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 50.87 55.89 8.84 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.652 -0.655 . . . . 0.0 110.828 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -125.37 24.38 7.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -69.39 -20.4 63.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.168 -0.958 . . . . 0.0 111.004 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 -46.46 57.65 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.23 -31.62 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.371 -1.076 . . . . 0.0 110.177 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.43 -10.37 59.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.422 -0.799 . . . . 0.0 111.034 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.36 22.8 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 110.582 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -145.94 65.68 1.21 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.302 -0.874 . . . . 0.0 110.214 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 mttp . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.366 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.136 0.493 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.05 29.03 4.28 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.613 -0.679 . . . . 0.0 111.353 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 t90 51.7 33.95 11.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.491 -0.756 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -138.25 53.22 1.81 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.065 -1.022 . . . . 0.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.03 -18.35 13.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.277 -0.889 . . . . 0.0 110.728 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' HG3' ' CB ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.28 -28.66 2.99 Favored Glycine 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 t -100.86 -43.96 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.923 -1.34 . . . . 0.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CB ' ' HG3' ' A' ' 18' ' ' GLU . 7.1 t80 -64.81 -25.58 67.97 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.484 -0.76 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -107.38 -81.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 49.89 47.09 23.63 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.55 -0.719 . . . . 0.0 110.819 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 121.118 0.485 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.15 174.13 9.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.404 -0.81 . . . . 0.0 110.361 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.53 79.04 2.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 110.243 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -138.71 20.76 2.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.289 -0.882 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m -107.44 22.63 15.69 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.218 -0.926 . . . . 0.0 110.63 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -36.7 1.74 Allowed Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.6 -24.22 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.302 -1.117 . . . . 0.0 111.179 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -54.66 -25.52 27.51 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.311 -0.868 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -150.13 30.98 0.69 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.452 -0.78 . . . . 0.0 110.36 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 p90 38.22 30.23 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.745 -1.121 . . . . 0.0 110.634 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.0 m80 . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.35 173.85 6.88 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.404 -0.81 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 48.78 59.72 4.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.683 -0.636 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -150.89 21.5 0.78 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.261 -0.899 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -113.83 3.97 15.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.093 -1.004 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.98 -40.35 5.24 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.99 -39.52 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.446 -1.032 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 18.2 m-85 -79.49 -4.24 50.38 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.479 -0.763 . . . . 0.0 111.27 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -117.49 31.35 6.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.94 62.34 1.31 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.419 -0.801 . . . . 0.0 110.076 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.492 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 t60 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.85 0.357 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.15 154.96 49.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.304 -0.872 . . . . 0.0 110.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.47 93.56 4.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.395 -0.816 . . . . 0.0 110.183 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -146.52 20.48 1.34 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.401 -0.812 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -115.73 -2.62 12.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.938 . . . . 0.0 111.06 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.76 -30.65 5.12 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -98.88 -39.32 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.186 -1.184 . . . . 0.0 110.873 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.85 11.82 33.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.423 -0.798 . . . . 0.0 111.317 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.65 48.89 0.52 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.115 -0.991 . . . . 0.0 110.242 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -148.51 40.7 0.93 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mttm . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.397 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.267 0.556 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.42 118.43 2.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -154.24 27.58 0.46 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.539 -0.726 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.76 18.24 8.67 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.984 -1.072 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -79.3 -16.83 55.75 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.175 -0.953 . . . . 0.0 110.978 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -36.09 35.2 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 t -65.44 -19.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.423 -1.045 . . . . 0.0 110.934 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 t80 55.46 32.04 18.15 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.495 -0.753 . . . . 0.0 110.332 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 57.03 36.97 28.45 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-O 121.314 0.578 . . . . 0.0 110.717 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -104.05 46.71 0.9 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.442 -0.787 . . . . 0.0 109.947 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.159 -0.925 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.895 0.378 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.42 -178.68 4.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -82.63 68.25 9.01 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.358 -0.839 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.94 49.81 2.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.845 . . . . 0.0 110.101 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.7 t -103.13 -19.48 14.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.513 -0.742 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 5' ' ' SER . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.79 8.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.06 -30.48 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.408 -1.054 . . . . 0.0 110.54 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.03 2.54 26.62 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.327 -0.858 . . . . 0.0 111.199 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -114.17 33.74 5.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.07 -1.019 . . . . 0.0 110.027 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.15 57.61 0.78 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.881 -1.056 . . . . 0.0 110.442 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 m80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.895 0.378 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.11 159.82 28.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 53.32 43.61 31.21 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.656 -0.653 . . . . 0.0 110.614 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -88.01 10.02 20.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -86.68 23.97 1.56 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.124 -0.985 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.39 82.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -71.12 -26.83 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.433 -1.04 . . . . 0.0 109.785 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.61 -31.93 73.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.685 -0.634 . . . . 0.0 110.569 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -111.48 15.68 21.1 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.475 -0.766 . . . . 0.0 110.76 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -152.45 67.22 0.83 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 109.991 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tptm . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.459 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.878 0.371 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.01 -153.73 0.24 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.85 -0.531 . . . . 0.0 110.77 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -121.95 -49.55 2.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.22 -0.925 . . . . 0.0 110.046 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -78.73 -5.7 53.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 111.46 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -86.15 25.15 1.2 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.065 -1.022 . . . . 0.0 111.325 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.68 -37.65 22.62 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.06 -23.69 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.374 -1.074 . . . . 0.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.47 -12.17 58.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.23 -0.919 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.49 27.94 5.75 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.295 -0.878 . . . . 0.0 110.647 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.95 45.25 0.92 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.354 -0.841 . . . . 0.0 110.193 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.078 0.466 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 131.39 17.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.432 -0.792 . . . . 0.0 110.388 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -81.32 75.02 8.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.771 . . . . 0.0 110.019 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.12 39.93 0.42 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.482 -0.762 . . . . 0.0 110.139 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.7 -37.63 2.19 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.04 -43.57 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.23 -1.159 . . . . 0.0 111.122 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -69.36 -17.05 63.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 111.161 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.21 48.97 1.04 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.278 -0.889 . . . . 0.0 110.127 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.91 58.0 0.37 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.454 -0.779 . . . . 0.0 110.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 117.812 -1.089 . . . . 0.0 110.756 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.049 0.452 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 -155.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.437 -0.79 . . . . 0.0 110.511 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 68.51 -68.39 0.18 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.709 -0.619 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -24.8 61.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -73.74 -23.57 59.77 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.466 -0.771 . . . . 0.0 110.518 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.13 -41.61 1.38 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 -49.15 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.247 -1.149 . . . . 0.0 110.825 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -17.75 64.85 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.436 -0.79 . . . . 0.0 111.091 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -100.7 17.57 21.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.224 -0.923 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.36 37.07 2.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.121 -0.987 . . . . 0.0 110.304 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.294 -0.878 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.54 32.99 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.43 -0.794 . . . . 0.0 110.229 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.517 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 3.7 p-90 -84.26 -173.47 4.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.517 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 5.0 t80 65.01 0.34 1.2 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.747 -0.596 . . . . 0.0 111.925 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -64.14 -35.41 80.68 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.58 -1.325 . . . . 0.0 109.981 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 4' ' ' TYR . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 -43.15 95.21 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.23 -31.88 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.417 -1.049 . . . . 0.0 110.18 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.93 -25.68 61.12 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.515 -0.741 . . . . 0.0 110.546 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.23 38.53 0.86 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.427 -0.795 . . . . 0.0 110.207 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.27 43.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.407 -0.808 . . . . 0.0 109.85 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.431 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 m80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.12 0.486 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.03 44.16 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.434 -0.791 . . . . 0.0 110.325 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -92.77 78.9 4.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.388 -0.82 . . . . 0.0 110.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -95.22 -8.68 35.45 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.601 -0.687 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.61 17.35 21.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.389 -0.819 . . . . 0.0 110.562 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.01 -37.0 23.4 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.25 -24.11 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.379 -1.071 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -104.87 28.36 7.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.15 -0.969 . . . . 0.0 110.574 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.37 33.45 0.11 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.232 -0.917 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 -8.9 3.31 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.045 -1.034 . . . . 0.0 112.117 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 O-C-N 121.013 -1.054 . . . . 0.0 110.655 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.048 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 5' ' ' SER . . . -118.09 129.59 55.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.479 -0.763 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -108.68 -48.8 3.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.5 -0.75 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -80.49 -1.01 39.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.502 -0.749 . . . . 0.0 111.228 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 23.3 t -68.21 -12.7 61.41 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.226 -0.922 . . . . 0.0 111.583 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.92 -43.21 23.03 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.67 -35.07 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.559 -0.965 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.16 -32.98 72.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.653 . . . . 0.0 110.689 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.63 22.87 7.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.481 -0.762 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.56 38.32 4.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.251 -0.905 . . . . 0.0 110.189 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm . . . . . 0 N--CA 1.496 1.825 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.284 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.53 99.75 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 121.358 0.599 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -98.93 -60.44 1.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.381 -0.825 . . . . 0.0 110.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -62.47 -23.96 67.2 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.584 -0.697 . . . . 0.0 110.897 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.423 -0.798 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -41.32 27.02 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 24' ' ' TYR . 24.6 t -56.63 -65.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.553 -0.969 . . . . 0.0 109.59 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 t80 67.56 -54.91 0.48 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -137.85 -63.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.744 -0.597 . . . . 0.0 109.757 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.512 ' HB2' HG12 ' A' ' 21' ' ' VAL . 1.7 t80 46.93 51.0 13.21 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.45 0.643 . . . . 0.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 121.302 0.572 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.13 172.9 11.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.316 -0.865 . . . . 0.0 110.39 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.62 68.22 8.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.45 -0.781 . . . . 0.0 110.478 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.36 -8.23 12.87 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.377 -0.827 . . . . 0.0 111.034 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.08 -30.54 71.6 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.392 -0.817 . . . . 0.0 110.72 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.526 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.33 -27.31 6.2 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.03 -38.38 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.069 -1.254 . . . . 0.0 110.809 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -8.87 20.77 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.359 -0.838 . . . . 0.0 111.486 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.3 m-85 -134.45 40.97 2.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.066 -1.021 . . . . 0.0 110.618 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.86 30.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.209 -0.932 . . . . 0.0 110.561 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.73 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.3 p80 . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.679 0.276 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 4' ' ' TYR . . . 67.11 150.9 0.06 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.633 -0.667 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 16.95 24.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.151 -0.968 . . . . 0.0 111.035 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.439 ' CE2' ' HB1' ' A' ' 2' ' ' ALA . 46.8 p90 -130.0 25.18 5.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.196 -0.94 . . . . 0.0 110.436 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.18 26.4 10.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.328 -0.857 . . . . 0.0 110.622 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.484 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.56 -34.85 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.82 -55.21 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.239 -1.153 . . . . 0.0 110.3 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -67.14 -31.1 71.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.577 -0.702 . . . . 0.0 110.434 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.7 t80 -98.48 35.42 1.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.745 . . . . 0.0 110.11 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.1 36.62 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.422 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.313 0.578 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.52 98.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.418 -0.801 . . . . 0.0 109.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -116.0 59.43 0.73 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.492 -0.755 . . . . 0.0 110.166 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -110.55 9.39 23.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.271 -0.893 . . . . 0.0 111.235 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -56.0 -34.74 66.07 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.236 -0.915 . . . . 0.0 110.592 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.06 9.25 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.85 -28.34 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.391 -1.064 . . . . 0.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.52 -33.85 66.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.526 -0.734 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.9 -75.46 0.58 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.1 t80 51.75 49.9 19.82 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.656 -0.652 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 tttp . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.596 -1.192 . . . . 0.0 110.784 -179.955 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 120.787 0.327 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.38 120.3 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 121.418 0.628 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.408 ' CZ2' ' HB2' ' A' ' 5' ' ' SER . 17.6 t-105 -105.65 112.96 26.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.232 -0.917 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.04 26.14 5.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.394 -0.816 . . . . 0.0 110.736 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 3' ' ' TRP . 61.8 m -94.41 -32.39 13.58 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 110.003 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CE2' HG23 ' A' ' 15' ' ' VAL . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HG2' ' CD1' ' A' ' 22' ' ' PHE . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -114.3 -35.86 1.41 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -92.08 -40.91 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.951 -1.323 . . . . 0.0 110.667 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 18' ' ' GLU . 59.4 m-85 -96.6 -9.92 28.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.416 -0.802 . . . . 0.0 111.252 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -128.14 21.11 6.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.185 -0.947 . . . . 0.0 110.712 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -157.8 34.48 0.26 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 110.825 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.373 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.094 0.473 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.82 131.83 34.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.475 -0.766 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.05 9.44 28.07 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.46 -0.775 . . . . 0.0 111.391 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.13 18.28 7.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.016 -1.053 . . . . 0.0 110.968 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.33 -20.67 13.32 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.122 -0.986 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.83 -48.39 16.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.93 -29.71 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.359 -1.083 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.41 -32.2 71.1 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.11 -75.14 0.63 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 52.65 38.41 26.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.691 -0.631 . . . . 0.0 111.198 179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.62 179.823 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.9 m80 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.859 0.362 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.7 170.3 8.19 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -92.77 69.2 4.68 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.51 -0.744 . . . . 0.0 110.244 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -109.92 11.71 24.04 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.363 -0.836 . . . . 0.0 111.14 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -57.32 -34.05 68.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.202 -0.936 . . . . 0.0 110.588 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -79.71 -36.14 26.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.3 t -49.41 -42.76 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.214 -1.168 . . . . 0.0 111.151 -179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 19' ' ' ASN . 14.2 p90 -105.99 7.6 32.05 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.237 -0.914 . . . . 0.0 111.424 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -160.39 74.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.124 -0.985 . . . . 0.0 110.275 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 25.3 t80 -152.74 72.42 0.97 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.686 0.755 . . . . 0.0 109.807 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 pttm . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.71 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.5 t60 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.9 -175.02 3.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.532 -0.73 . . . . 0.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -82.18 60.5 4.97 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.464 -0.773 . . . . 0.0 110.042 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -147.93 22.29 1.11 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.501 -0.749 . . . . 0.0 111.097 -179.912 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -73.18 -36.15 66.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.161 -0.962 . . . . 0.0 109.926 179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.528 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -84.37 -43.31 7.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.71 -29.98 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.08 -1.247 . . . . 0.0 110.597 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -98.46 -13.27 20.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.354 -0.841 . . . . 0.0 111.376 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -152.34 70.95 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.116 -0.99 . . . . 0.0 110.799 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 1.2 t80 -167.69 46.1 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.356 -0.84 . . . . 0.0 110.465 179.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.794 179.67 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 120.562 0.22 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.0 -170.81 2.25 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.15 -0.969 . . . . 0.0 110.322 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 35.4 p90 -80.87 -146.28 0.05 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.574 -0.704 . . . . 0.0 109.956 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 0.6 OUTLIER 63.25 16.17 9.21 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.328 -0.857 . . . . 0.0 111.238 -179.529 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p -107.21 -49.57 3.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.139 -0.976 . . . . 0.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.75 -31.9 1.85 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.89 -27.93 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.055 -1.261 . . . . 0.0 111.119 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -102.44 1.0 34.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.224 -0.923 . . . . 0.0 111.22 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -130.02 32.42 4.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.133 -0.979 . . . . 0.0 110.497 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -108.36 45.64 1.01 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.334 -0.854 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttt . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.78 -179.727 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.0 m80 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.869 0.366 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.8 102.53 2.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.479 -0.763 . . . . 0.0 109.913 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 64.32 151.08 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 121.111 0.481 . . . . 0.0 110.27 -179.49 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER 54.87 18.75 2.31 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.273 -0.892 . . . . 0.0 111.001 -179.526 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -81.14 -3.0 50.67 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.534 -1.354 . . . . 0.0 111.389 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -103.81 -43.04 1.86 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.38 -42.65 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -1.032 . . . . 0.0 111.07 -179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.9 -27.82 69.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.595 -0.69 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -106.53 23.38 14.31 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.824 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -145.67 41.58 1.22 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.261 -0.9 . . . . 0.0 110.432 179.892 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.3 p80 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.602 0.239 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.6 116.6 28.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.192 -0.943 . . . . 0.0 110.023 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . 0.9 OUTLIER 65.79 151.96 0.06 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.943 -0.473 . . . . 0.0 110.715 -179.719 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 52.6 p90 33.65 41.72 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 121.557 0.694 . . . . 0.0 111.606 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -116.24 7.15 13.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.69 48.61 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.37 -34.63 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.547 -0.972 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -78.06 -16.54 57.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.457 -0.777 . . . . 0.0 110.888 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -112.15 47.17 1.08 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.386 -0.821 . . . . 0.0 109.732 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.43 50.14 0.76 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.503 -0.748 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.6 t60 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.27 54.1 0.76 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.335 -0.853 . . . . 0.0 110.226 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 54.71 36.59 26.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.787 -0.57 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -99.75 21.84 11.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.15 -0.969 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -110.99 5.29 20.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.205 -0.934 . . . . 0.0 110.488 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.58 -31.48 3.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.5 t -90.16 -26.28 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.161 -1.2 . . . . 0.0 111.356 -179.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.37 21.5 17.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 0.0 111.176 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.45 35.7 0.97 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 110.332 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -159.55 -60.5 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.01 0.433 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 8.0 m . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.909 0.385 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 120.863 0.363 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 120.853 0.358 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.772 0.32 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 120.782 0.325 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 8' ' ' VAL . 81.0 p . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.89 0.376 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.947 0.403 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 11' ' ' PHE . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.757 0.313 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 120.81 0.338 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 8' ' ' VAL . 9.8 m . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.149 0.5 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 5' ' ' SER . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' PHE . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.254 0.549 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 120.832 0.349 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.659 0.266 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.992 0.425 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 15' ' ' VAL . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 11' ' ' PHE . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 121.07 0.462 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.13 0.491 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 120.978 0.418 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 120.906 0.384 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 121.207 0.527 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 8' ' ' VAL . 86.7 p . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.121 0.486 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.447 ' CD2' HD22 ' A' ' 9' ' ' LEU . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 5' ' ' SER . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.311 0.576 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.702 0.287 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.727 0.298 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.972 0.415 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.054 0.454 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -158.42 108.36 2.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.386 -0.821 . . . . 0.0 110.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.94 -25.64 13.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.494 -0.754 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.531 ' HA ' ' CD2' ' A' ' 7' ' ' TYR . 48.3 p90 -102.14 13.52 34.46 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.211 -0.931 . . . . 0.0 111.282 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.517 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -79.43 -21.5 45.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.149 -0.97 . . . . 0.0 110.878 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 4' ' ' TYR . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.96 -40.26 6.26 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.71 -27.16 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.478 -1.013 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -99.54 25.02 7.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.265 -0.897 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.21 45.09 0.26 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.24 -0.912 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.99 33.91 3.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.319 -0.863 . . . . 0.0 110.707 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.8 mttt . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.679 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.256 0.551 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.18 138.87 18.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 109.988 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.14 156.42 0.1 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.826 -0.546 . . . . 0.0 110.48 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.6 p90 38.2 32.5 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.584 0 CA-C-O 121.156 0.503 . . . . 0.0 112.148 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -103.66 -37.31 7.56 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.991 -1.068 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.24 -38.44 1.97 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.59 -22.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.219 -1.165 . . . . 0.0 111.3 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.25 9.08 38.3 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.104 -0.998 . . . . 0.0 111.209 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -138.85 29.93 2.29 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.094 -1.003 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -108.36 -14.45 14.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.294 -0.879 . . . . 0.0 110.866 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.2 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.283 0.563 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.28 35.94 1.35 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.429 -0.794 . . . . 0.0 110.486 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 50.87 55.89 8.84 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.652 -0.655 . . . . 0.0 110.828 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -125.37 24.38 7.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 8.0 m -69.39 -20.4 63.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.168 -0.958 . . . . 0.0 111.004 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 -46.46 57.65 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.23 -31.62 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.371 -1.076 . . . . 0.0 110.177 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 6.4 m-85 -82.43 -10.37 59.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.422 -0.799 . . . . 0.0 111.034 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.36 22.8 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 110.582 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -145.94 65.68 1.21 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.302 -0.874 . . . . 0.0 110.214 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 22' ' ' PHE . 4.8 mttp . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.136 0.493 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.05 29.03 4.28 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.613 -0.679 . . . . 0.0 111.353 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 t90 51.7 33.95 11.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.491 -0.756 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -138.25 53.22 1.81 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.065 -1.022 . . . . 0.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.03 -18.35 13.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.277 -0.889 . . . . 0.0 110.728 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.28 -28.66 2.99 Favored Glycine 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 t -100.86 -43.96 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.923 -1.34 . . . . 0.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CB ' ' HG3' ' A' ' 18' ' ' GLU . 7.1 t80 -64.81 -25.58 67.97 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.484 -0.76 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -107.38 -81.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 49.89 47.09 23.63 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.55 -0.719 . . . . 0.0 110.819 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 121.118 0.485 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . . . -129.15 174.13 9.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.404 -0.81 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.53 79.04 2.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 110.243 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 2' ' ' ALA . 53.9 p90 -138.71 20.76 2.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.289 -0.882 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m -107.44 22.63 15.69 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.218 -0.926 . . . . 0.0 110.63 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -36.7 1.74 Allowed Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 17' ' ' GLY . 75.7 t -63.6 -24.22 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.302 -1.117 . . . . 0.0 111.179 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 23' ' ' PHE . 2.8 p90 -54.66 -25.52 27.51 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.311 -0.868 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.13 30.98 0.69 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.452 -0.78 . . . . 0.0 110.36 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 p90 38.22 30.23 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.745 -1.121 . . . . 0.0 110.634 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.0 m80 . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.35 173.85 6.88 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.404 -0.81 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 48.78 59.72 4.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.683 -0.636 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -150.89 21.5 0.78 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.261 -0.899 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -113.83 3.97 15.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.093 -1.004 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.98 -40.35 5.24 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.99 -39.52 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.446 -1.032 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -79.49 -4.24 50.38 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.479 -0.763 . . . . 0.0 111.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -117.49 31.35 6.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.94 62.34 1.31 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.419 -0.801 . . . . 0.0 110.076 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.492 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 t60 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.85 0.357 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.15 154.96 49.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.304 -0.872 . . . . 0.0 110.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.47 93.56 4.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.395 -0.816 . . . . 0.0 110.183 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -146.52 20.48 1.34 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.401 -0.812 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -115.73 -2.62 12.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.938 . . . . 0.0 111.06 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.76 -30.65 5.12 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -98.88 -39.32 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.186 -1.184 . . . . 0.0 110.873 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.85 11.82 33.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.423 -0.798 . . . . 0.0 111.317 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -155.65 48.89 0.52 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.115 -0.991 . . . . 0.0 110.242 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -148.51 40.7 0.93 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mttm . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.397 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.267 0.556 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.42 118.43 2.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -154.24 27.58 0.46 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.539 -0.726 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.76 18.24 8.67 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.984 -1.072 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 8' ' ' VAL . 81.0 p -79.3 -16.83 55.75 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.175 -0.953 . . . . 0.0 110.978 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -36.09 35.2 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 24' ' ' TYR . 33.8 t -65.44 -19.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.423 -1.045 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 t80 55.46 32.04 18.15 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.495 -0.753 . . . . 0.0 110.332 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 57.03 36.97 28.45 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-O 121.314 0.578 . . . . 0.0 110.717 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' H ' HG12 ' A' ' 21' ' ' VAL . 2.0 t80 -104.05 46.71 0.9 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.442 -0.787 . . . . 0.0 109.947 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' HG11 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.159 -0.925 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.895 0.378 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.42 -178.68 4.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -82.63 68.25 9.01 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.358 -0.839 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.94 49.81 2.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.845 . . . . 0.0 110.101 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -103.13 -19.48 14.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.513 -0.742 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 11' ' ' PHE . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.79 8.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.06 -30.48 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.408 -1.054 . . . . 0.0 110.54 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.03 2.54 26.62 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.327 -0.858 . . . . 0.0 111.199 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -114.17 33.74 5.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.07 -1.019 . . . . 0.0 110.027 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.15 57.61 0.78 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.881 -1.056 . . . . 0.0 110.442 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 m80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.895 0.378 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.11 159.82 28.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 53.32 43.61 31.21 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.656 -0.653 . . . . 0.0 110.614 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -88.01 10.02 20.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -86.68 23.97 1.56 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.124 -0.985 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.39 82.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -71.12 -26.83 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.433 -1.04 . . . . 0.0 109.785 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.61 -31.93 73.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.685 -0.634 . . . . 0.0 110.569 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -111.48 15.68 21.1 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.475 -0.766 . . . . 0.0 110.76 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -152.45 67.22 0.83 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 109.991 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tptm . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.459 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.878 0.371 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.01 -153.73 0.24 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.85 -0.531 . . . . 0.0 110.77 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -121.95 -49.55 2.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.22 -0.925 . . . . 0.0 110.046 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -78.73 -5.7 53.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 111.46 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -86.15 25.15 1.2 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.065 -1.022 . . . . 0.0 111.325 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.68 -37.65 22.62 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.06 -23.69 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.374 -1.074 . . . . 0.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.47 -12.17 58.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.23 -0.919 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.49 27.94 5.75 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.295 -0.878 . . . . 0.0 110.647 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.95 45.25 0.92 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.354 -0.841 . . . . 0.0 110.193 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.078 0.466 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 131.39 17.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.432 -0.792 . . . . 0.0 110.388 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -81.32 75.02 8.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.771 . . . . 0.0 110.019 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.12 39.93 0.42 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.482 -0.762 . . . . 0.0 110.139 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 8' ' ' VAL . 9.8 m -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 5' ' ' SER . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.7 -37.63 2.19 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.04 -43.57 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.23 -1.159 . . . . 0.0 111.122 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -69.36 -17.05 63.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 111.161 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.21 48.97 1.04 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.278 -0.889 . . . . 0.0 110.127 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.91 58.0 0.37 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.454 -0.779 . . . . 0.0 110.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 117.812 -1.089 . . . . 0.0 110.756 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.049 0.452 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 -155.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.437 -0.79 . . . . 0.0 110.511 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 68.51 -68.39 0.18 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.709 -0.619 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -24.8 61.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -73.74 -23.57 59.77 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.466 -0.771 . . . . 0.0 110.518 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' PHE . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.13 -41.61 1.38 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 -49.15 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.247 -1.149 . . . . 0.0 110.825 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -17.75 64.85 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.436 -0.79 . . . . 0.0 111.091 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -100.7 17.57 21.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.224 -0.923 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.36 37.07 2.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.121 -0.987 . . . . 0.0 110.304 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.294 -0.878 . . . . 0.0 110.667 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.54 32.99 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.43 -0.794 . . . . 0.0 110.229 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.514 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 3.7 p-90 -84.26 -173.47 4.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 5.0 t80 65.01 0.34 1.2 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.747 -0.596 . . . . 0.0 111.925 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -64.14 -35.41 80.68 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.58 -1.325 . . . . 0.0 109.981 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 4' ' ' TYR . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 -43.15 95.21 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.23 -31.88 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.417 -1.049 . . . . 0.0 110.18 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.93 -25.68 61.12 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.515 -0.741 . . . . 0.0 110.546 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.23 38.53 0.86 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.427 -0.795 . . . . 0.0 110.207 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.27 43.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.407 -0.808 . . . . 0.0 109.85 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.431 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 m80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.12 0.486 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.03 44.16 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.434 -0.791 . . . . 0.0 110.325 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -92.77 78.9 4.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.388 -0.82 . . . . 0.0 110.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -95.22 -8.68 35.45 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.601 -0.687 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.61 17.35 21.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.389 -0.819 . . . . 0.0 110.562 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.01 -37.0 23.4 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.25 -24.11 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.379 -1.071 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -104.87 28.36 7.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.15 -0.969 . . . . 0.0 110.574 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.37 33.45 0.11 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.232 -0.917 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 -8.9 3.31 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.045 -1.034 . . . . 0.0 112.117 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 O-C-N 121.013 -1.054 . . . . 0.0 110.655 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.048 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -118.09 129.59 55.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.479 -0.763 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -108.68 -48.8 3.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.5 -0.75 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -80.49 -1.01 39.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.502 -0.749 . . . . 0.0 111.228 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 23.3 t -68.21 -12.7 61.41 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.226 -0.922 . . . . 0.0 111.583 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.92 -43.21 23.03 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.67 -35.07 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.559 -0.965 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.16 -32.98 72.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.653 . . . . 0.0 110.689 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.63 22.87 7.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.481 -0.762 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.56 38.32 4.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.251 -0.905 . . . . 0.0 110.189 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm . . . . . 0 N--CA 1.496 1.825 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.284 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 32.3 m-70 . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 61.53 99.75 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 121.358 0.599 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -98.93 -60.44 1.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.381 -0.825 . . . . 0.0 110.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 7' ' ' TYR . 35.1 p90 -62.47 -23.96 67.2 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.584 -0.697 . . . . 0.0 110.897 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 74.4 m -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.423 -0.798 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 4' ' ' TYR . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 15' ' ' VAL . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 11' ' ' PHE . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -41.32 27.02 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 24' ' ' TYR . 24.6 t -56.63 -65.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.553 -0.969 . . . . 0.0 109.59 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 t80 67.56 -54.91 0.48 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -137.85 -63.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.744 -0.597 . . . . 0.0 109.757 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.588 ' HB2' HG13 ' A' ' 21' ' ' VAL . 1.7 t80 46.93 51.0 13.21 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.45 0.643 . . . . 0.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 121.302 0.572 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' HB3' ' HD2' ' A' ' 4' ' ' TYR . . . -84.13 172.9 11.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.316 -0.865 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.62 68.22 8.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.45 -0.781 . . . . 0.0 110.478 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 38.7 p90 -114.36 -8.23 12.87 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.377 -0.827 . . . . 0.0 111.034 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.08 -30.54 71.6 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.392 -0.817 . . . . 0.0 110.72 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.594 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.33 -27.31 6.2 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.03 -38.38 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.069 -1.254 . . . . 0.0 110.809 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -8.87 20.77 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.359 -0.838 . . . . 0.0 111.486 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.594 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.3 m-85 -134.45 40.97 2.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.066 -1.021 . . . . 0.0 110.618 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.86 30.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.209 -0.932 . . . . 0.0 110.561 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.73 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.59 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 23.3 p80 . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.679 0.276 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 67.11 150.9 0.06 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.633 -0.667 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 16.95 24.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.151 -0.968 . . . . 0.0 111.035 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -130.0 25.18 5.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.196 -0.94 . . . . 0.0 110.436 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.18 26.4 10.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.328 -0.857 . . . . 0.0 110.622 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.55 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.56 -34.85 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.82 -55.21 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.239 -1.153 . . . . 0.0 110.3 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -67.14 -31.1 71.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.577 -0.702 . . . . 0.0 110.434 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.7 t80 -98.48 35.42 1.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.745 . . . . 0.0 110.11 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.1 36.62 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.422 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.313 0.578 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.52 98.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.418 -0.801 . . . . 0.0 109.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -116.0 59.43 0.73 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.492 -0.755 . . . . 0.0 110.166 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -110.55 9.39 23.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.271 -0.893 . . . . 0.0 111.235 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -56.0 -34.74 66.07 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.236 -0.915 . . . . 0.0 110.592 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.06 9.25 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.85 -28.34 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.391 -1.064 . . . . 0.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.52 -33.85 66.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.526 -0.734 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.9 -75.46 0.58 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.1 t80 51.75 49.9 19.82 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.656 -0.652 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 tttp . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.596 -1.192 . . . . 0.0 110.784 -179.955 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.567 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 39.6 t-80 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 120.787 0.327 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 67.38 120.3 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 121.418 0.628 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 5' ' ' SER . 17.6 t-105 -105.65 112.96 26.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.232 -0.917 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.04 26.14 5.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.394 -0.816 . . . . 0.0 110.736 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 3' ' ' TRP . 61.8 m -94.41 -32.39 13.58 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 110.003 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' CD1' ' A' ' 22' ' ' PHE . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -114.3 -35.86 1.41 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -92.08 -40.91 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.951 -1.323 . . . . 0.0 110.667 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 18' ' ' GLU . 59.4 m-85 -96.6 -9.92 28.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.416 -0.802 . . . . 0.0 111.252 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -128.14 21.11 6.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.185 -0.947 . . . . 0.0 110.712 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -157.8 34.48 0.26 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 110.825 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.373 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.094 0.473 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.82 131.83 34.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.475 -0.766 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.05 9.44 28.07 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.46 -0.775 . . . . 0.0 111.391 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.13 18.28 7.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.016 -1.053 . . . . 0.0 110.968 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.33 -20.67 13.32 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.122 -0.986 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.83 -48.39 16.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.93 -29.71 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.359 -1.083 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.41 -32.2 71.1 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.11 -75.14 0.63 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 52.65 38.41 26.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.691 -0.631 . . . . 0.0 111.198 179.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.62 179.823 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.9 m80 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.859 0.362 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.7 170.3 8.19 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -92.77 69.2 4.68 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.51 -0.744 . . . . 0.0 110.244 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -109.92 11.71 24.04 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.363 -0.836 . . . . 0.0 111.14 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -57.32 -34.05 68.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.202 -0.936 . . . . 0.0 110.588 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -79.71 -36.14 26.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 17' ' ' GLY . 34.3 t -49.41 -42.76 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.214 -1.168 . . . . 0.0 111.151 -179.595 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 19' ' ' ASN . 14.2 p90 -105.99 7.6 32.05 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.237 -0.914 . . . . 0.0 111.424 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -160.39 74.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.124 -0.985 . . . . 0.0 110.275 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 25.3 t80 -152.74 72.42 0.97 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.686 0.755 . . . . 0.0 109.807 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 pttm . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.71 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.5 t60 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.9 -175.02 3.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.532 -0.73 . . . . 0.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -82.18 60.5 4.97 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.464 -0.773 . . . . 0.0 110.042 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -147.93 22.29 1.11 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.501 -0.749 . . . . 0.0 111.097 -179.912 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 8' ' ' VAL . 86.7 p -73.18 -36.15 66.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.161 -0.962 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.447 ' CD2' HD22 ' A' ' 9' ' ' LEU . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 5' ' ' SER . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.547 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -84.37 -43.31 7.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.71 -29.98 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.08 -1.247 . . . . 0.0 110.597 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -98.46 -13.27 20.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.354 -0.841 . . . . 0.0 111.376 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -152.34 70.95 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.116 -0.99 . . . . 0.0 110.799 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 1.2 t80 -167.69 46.1 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.356 -0.84 . . . . 0.0 110.465 179.44 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.794 179.67 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 120.562 0.22 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.0 -170.81 2.25 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.15 -0.969 . . . . 0.0 110.322 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.43 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 35.4 p90 -80.87 -146.28 0.05 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.574 -0.704 . . . . 0.0 109.956 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 0.6 OUTLIER 63.25 16.17 9.21 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.328 -0.857 . . . . 0.0 111.238 -179.529 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p -107.21 -49.57 3.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.139 -0.976 . . . . 0.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.75 -31.9 1.85 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.89 -27.93 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.055 -1.261 . . . . 0.0 111.119 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -102.44 1.0 34.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.224 -0.923 . . . . 0.0 111.22 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -130.02 32.42 4.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.133 -0.979 . . . . 0.0 110.497 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -108.36 45.64 1.01 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.334 -0.854 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttt . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.78 -179.727 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.0 m80 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.869 0.366 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.8 102.53 2.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.479 -0.763 . . . . 0.0 109.913 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 64.32 151.08 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 121.111 0.481 . . . . 0.0 110.27 -179.49 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER 54.87 18.75 2.31 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.273 -0.892 . . . . 0.0 111.001 -179.526 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -81.14 -3.0 50.67 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.534 -1.354 . . . . 0.0 111.389 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' A' ' 21' ' ' VAL . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -103.81 -43.04 1.86 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 22' ' ' PHE . 17.7 m -53.38 -42.65 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -1.032 . . . . 0.0 111.07 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.8 m-85 -62.9 -27.82 69.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.595 -0.69 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -106.53 23.38 14.31 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.824 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -145.67 41.58 1.22 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.261 -0.9 . . . . 0.0 110.432 179.892 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 2' ' ' ALA . 26.3 p80 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.602 0.239 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 1' ' ' HIS . . . -115.6 116.6 28.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.192 -0.943 . . . . 0.0 110.023 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . 0.9 OUTLIER 65.79 151.96 0.06 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.943 -0.473 . . . . 0.0 110.715 -179.719 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 52.6 p90 33.65 41.72 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 121.557 0.694 . . . . 0.0 111.606 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -116.24 7.15 13.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.69 48.61 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.37 -34.63 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.547 -0.972 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -78.06 -16.54 57.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.457 -0.777 . . . . 0.0 110.888 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -112.15 47.17 1.08 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.386 -0.821 . . . . 0.0 109.732 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.43 50.14 0.76 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.503 -0.748 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.6 t60 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.27 54.1 0.76 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.335 -0.853 . . . . 0.0 110.226 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 54.71 36.59 26.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.787 -0.57 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -99.75 21.84 11.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.15 -0.969 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -110.99 5.29 20.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.205 -0.934 . . . . 0.0 110.488 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.58 -31.48 3.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.5 t -90.16 -26.28 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.161 -1.2 . . . . 0.0 111.356 -179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.37 21.5 17.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 0.0 111.176 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.45 35.7 0.97 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 110.332 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -159.55 -60.5 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 121.01 0.433 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 8.0 m . . . . . 0 N--CA 1.498 1.97 0 CA-C-O 120.909 0.385 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.915 0 CA-C-O 120.863 0.363 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 120.853 0.358 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.772 0.32 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 120.782 0.325 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 8' ' ' VAL . 81.0 p . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 120.89 0.376 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.947 0.403 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 11' ' ' PHE . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.757 0.313 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 120.81 0.338 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 8' ' ' VAL . 9.8 m . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.149 0.5 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 5' ' ' SER . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' PHE . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.254 0.549 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 120.832 0.349 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.659 0.266 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.992 0.425 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 15' ' ' VAL . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 11' ' ' PHE . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 121.07 0.462 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 121.13 0.491 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 120.978 0.418 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 120.906 0.384 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.501 2.085 0 CA-C-O 121.207 0.527 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 8' ' ' VAL . 86.7 p . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 121.121 0.486 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.447 ' CD2' HD22 ' A' ' 9' ' ' LEU . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 5' ' ' SER . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.311 0.576 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.702 0.287 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.727 0.298 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 120.972 0.415 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.054 0.454 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -158.42 108.36 2.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.386 -0.821 . . . . 0.0 110.226 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.94 -25.64 13.71 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.494 -0.754 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.531 ' HA ' ' CD2' ' A' ' 7' ' ' TYR . 48.3 p90 -102.14 13.52 34.46 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.211 -0.931 . . . . 0.0 111.282 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.517 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -79.43 -21.5 45.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.149 -0.97 . . . . 0.0 110.878 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -81.98 -27.51 33.15 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.294 -0.878 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 4' ' ' TYR . 28.7 m-85 -65.25 -46.94 78.51 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.365 -0.835 . . . . 0.0 109.826 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.48 -29.87 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.548 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -80.02 -40.28 28.13 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.483 -0.761 . . . . 0.0 109.614 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -68.9 -43.6 74.9 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.42 -0.8 . . . . 0.0 109.728 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -64.43 -42.59 95.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.602 -0.686 . . . . 0.0 109.55 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -63.7 -42.4 97.99 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.505 -0.747 . . . . 0.0 109.798 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.29 -34.41 75.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.455 -0.778 . . . . 0.0 110.139 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.39 -44.3 65.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.549 -0.719 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.72 -45.18 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.717 -0.614 . . . . 0.0 110.165 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -67.47 -34.93 78.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.377 -0.827 . . . . 0.0 110.039 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.67 73.88 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.81 -33.56 71.89 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.473 -1.016 . . . . 0.0 110.346 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.75 -34.58 76.08 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.543 -0.723 . . . . 0.0 110.028 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.96 -40.26 6.26 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.71 -27.16 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.478 -1.013 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -99.54 25.02 7.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.265 -0.897 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.21 45.09 0.26 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.24 -0.912 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.99 33.91 3.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.319 -0.863 . . . . 0.0 110.707 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.8 mttt . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.679 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.256 0.551 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.18 138.87 18.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 109.988 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.14 156.42 0.1 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.826 -0.546 . . . . 0.0 110.48 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.6 p90 38.2 32.5 0.05 OUTLIER 'General case' 0 N--CA 1.511 2.584 0 CA-C-O 121.156 0.503 . . . . 0.0 112.148 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -103.66 -37.31 7.56 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.991 -1.068 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -83.04 -26.93 30.69 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.339 -0.851 . . . . 0.0 110.302 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -65.95 -49.46 67.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.491 -0.756 . . . . 0.0 109.408 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.92 -27.48 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.813 -0.554 . . . . 0.0 109.669 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.68 -36.17 65.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.694 . . . . 0.0 109.885 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -44.59 63.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.462 -0.773 . . . . 0.0 110.041 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -60.44 -42.78 96.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.93 -47.7 83.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.383 -0.823 . . . . 0.0 109.661 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.19 -34.47 78.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.605 -0.684 . . . . 0.0 109.896 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -38.14 73.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.555 -0.716 . . . . 0.0 110.274 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.7 t -75.75 -53.81 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.634 -0.666 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -36.2 83.12 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.361 -0.837 . . . . 0.0 110.258 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.43 -45.29 96.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.04 -34.94 79.15 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.347 -1.09 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.06 -20.83 65.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.359 -0.838 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.24 -38.44 1.97 Allowed Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.114 -1.195 . . . . 0.0 110.114 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.59 -22.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.219 -1.165 . . . . 0.0 111.3 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.25 9.08 38.3 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.104 -0.998 . . . . 0.0 111.209 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -138.85 29.93 2.29 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.094 -1.003 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -108.36 -14.45 14.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.294 -0.879 . . . . 0.0 110.866 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.2 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.283 0.563 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.28 35.94 1.35 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.429 -0.794 . . . . 0.0 110.486 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 50.87 55.89 8.84 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.652 -0.655 . . . . 0.0 110.828 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -125.37 24.38 7.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 8.0 m -69.39 -20.4 63.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.168 -0.958 . . . . 0.0 111.004 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -74.4 -25.59 59.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.199 -0.938 . . . . 0.0 110.418 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -65.06 -49.12 71.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.431 -0.793 . . . . 0.0 109.693 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -66.74 -27.09 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.24 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -75.86 -41.32 52.62 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -69.11 -40.78 78.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.457 -0.777 . . . . 0.0 109.763 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.49 -40.74 85.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.455 -0.778 . . . . 0.0 109.755 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.42 -42.12 83.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.34 -27.1 67.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.33 -0.856 . . . . 0.0 110.376 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.34 -31.84 64.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.328 -0.858 . . . . 0.0 110.366 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -97.78 -58.9 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.721 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -71.28 -31.78 67.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.353 -0.842 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.16 74.39 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -58.91 -45.06 91.22 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.524 -0.986 . . . . 0.0 109.563 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -58.94 -40.32 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.734 -0.604 . . . . 0.0 109.534 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.2 -46.46 57.65 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.23 -31.62 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.371 -1.076 . . . . 0.0 110.177 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 6.4 m-85 -82.43 -10.37 59.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.422 -0.799 . . . . 0.0 111.034 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -117.36 22.8 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 110.582 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -145.94 65.68 1.21 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.302 -0.874 . . . . 0.0 110.214 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 22' ' ' PHE . 4.8 mttp . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.136 0.493 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.05 29.03 4.28 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.613 -0.679 . . . . 0.0 111.353 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 t90 51.7 33.95 11.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.491 -0.756 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -138.25 53.22 1.81 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.065 -1.022 . . . . 0.0 110.535 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.03 -18.35 13.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.277 -0.889 . . . . 0.0 110.728 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -88.05 -26.84 22.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 110.51 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.95 -45.96 89.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.508 -0.745 . . . . 0.0 109.861 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.07 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.591 -0.693 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.22 -38.15 20.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.603 -0.686 . . . . 0.0 110.008 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.95 -40.97 62.68 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.426 -0.796 . . . . 0.0 110.323 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.42 -43.67 98.27 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.1 -42.04 97.06 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.424 -0.798 . . . . 0.0 110.116 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.5 -34.31 77.49 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.504 -0.748 . . . . 0.0 110.317 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -70.77 -46.72 62.4 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.442 -0.786 . . . . 0.0 110.229 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.39 -46.85 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.622 -0.674 . . . . 0.0 109.738 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -64.89 -37.74 88.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.439 -0.788 . . . . 0.0 109.831 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.47 99.1 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 22' ' ' PHE . 1.0 OUTLIER -61.69 -34.73 76.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.36 -1.083 . . . . 0.0 110.542 179.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -70.27 -17.54 63.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 0.0 111.306 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.28 -28.66 2.99 Favored Glycine 0 N--CA 1.496 2.644 0 C-N-CA 120.125 -1.036 . . . . 0.0 111.312 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 t -100.86 -43.96 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.923 -1.34 . . . . 0.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CB ' ' HG3' ' A' ' 18' ' ' GLU . 7.1 t80 -64.81 -25.58 67.97 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.484 -0.76 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -107.38 -81.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 49.89 47.09 23.63 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.55 -0.719 . . . . 0.0 110.819 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 121.118 0.485 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . . . -129.15 174.13 9.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.404 -0.81 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.53 79.04 2.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 110.243 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 2' ' ' ALA . 53.9 p90 -138.71 20.76 2.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.289 -0.882 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 m -107.44 22.63 15.69 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.218 -0.926 . . . . 0.0 110.63 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -97.73 -38.89 9.31 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.151 -0.968 . . . . 0.0 110.283 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.78 -42.9 97.68 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.526 -0.734 . . . . 0.0 109.561 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.87 -31.06 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.718 -0.613 . . . . 0.0 109.675 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -78.46 -35.04 47.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.574 -0.704 . . . . 0.0 109.627 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -63.31 -44.24 95.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.506 -0.746 . . . . 0.0 109.893 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.17 -40.86 98.74 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.573 -0.704 . . . . 0.0 109.774 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.596 -0.69 . . . . 0.0 109.997 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.55 -35.68 81.57 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.403 -0.811 . . . . 0.0 110.162 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.34 -28.76 56.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.568 -0.707 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.13 -58.66 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.403 -0.811 . . . . 0.0 110.353 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -65.12 -24.67 67.49 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.391 -0.818 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -56.93 -52.48 50.88 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.31 -31.92 72.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.44 -1.035 . . . . 0.0 110.606 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -65.44 -20.06 66.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.643 -0.661 . . . . 0.0 110.855 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -36.7 1.74 Allowed Glycine 0 N--CA 1.495 2.599 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 17' ' ' GLY . 75.7 t -63.6 -24.22 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.302 -1.117 . . . . 0.0 111.179 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 23' ' ' PHE . 2.8 p90 -54.66 -25.52 27.51 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.311 -0.868 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HB2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.13 30.98 0.69 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.452 -0.78 . . . . 0.0 110.36 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.9 p90 38.22 30.23 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.745 -1.121 . . . . 0.0 110.634 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.0 m80 . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.35 173.85 6.88 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.404 -0.81 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 48.78 59.72 4.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.683 -0.636 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -150.89 21.5 0.78 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.261 -0.899 . . . . 0.0 111.03 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -113.83 3.97 15.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.093 -1.004 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -105.62 -29.42 10.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.284 -0.885 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -62.49 -43.59 98.45 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.482 -0.761 . . . . 0.0 109.561 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.03 -30.65 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.752 -0.592 . . . . 0.0 109.6 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.33 -43.17 64.49 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.618 -0.676 . . . . 0.0 109.486 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -42.81 72.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.491 -0.756 . . . . 0.0 109.868 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.42 -42.38 91.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.617 -0.677 . . . . 0.0 110.419 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -64.66 -45.72 85.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.472 -0.767 . . . . 0.0 110.022 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.12 -29.89 69.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.561 -0.712 . . . . 0.0 110.296 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -21.38 60.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.383 -0.823 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -103.46 -58.52 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.05 -35.37 76.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.468 -0.77 . . . . 0.0 110.109 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.22 92.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.959 -1.656 . . . . 0.0 108.959 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.22 80.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.566 -0.961 . . . . 0.0 109.787 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.61 -29.96 68.36 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.408 -0.808 . . . . 0.0 110.278 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.98 -40.35 5.24 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.99 -39.52 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.446 -1.032 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -79.49 -4.24 50.38 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.479 -0.763 . . . . 0.0 111.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -117.49 31.35 6.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.111 -0.993 . . . . 0.0 110.089 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.94 62.34 1.31 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.419 -0.801 . . . . 0.0 110.076 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tptp . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.492 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 t60 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.85 0.357 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.15 154.96 49.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.304 -0.872 . . . . 0.0 110.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -121.47 93.56 4.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.395 -0.816 . . . . 0.0 110.183 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -146.52 20.48 1.34 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.401 -0.812 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -115.73 -2.62 12.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.938 . . . . 0.0 111.06 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -94.96 -26.15 16.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.171 -0.956 . . . . 0.0 110.41 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -68.83 -45.52 70.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.481 -0.762 . . . . 0.0 109.333 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.95 -32.17 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.697 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 tt -76.66 -39.42 52.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.537 -0.727 . . . . 0.0 109.686 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -73.16 -38.77 66.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.529 -0.732 . . . . 0.0 110.063 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.24 -45.3 85.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.446 -0.784 . . . . 0.0 110.283 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.63 -44.38 96.43 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.502 -0.749 . . . . 0.0 110.376 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.18 -33.25 74.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.81 -47.52 52.76 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.412 -0.805 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.37 -46.51 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.724 -0.61 . . . . 0.0 109.6 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.18 -37.06 86.09 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.669 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.12 98.83 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.91 -27.86 69.44 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.481 -1.011 . . . . 0.0 110.318 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 7.9 m-80 -70.34 -24.21 62.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.252 -0.905 . . . . 0.0 110.29 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.76 -30.65 5.12 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -98.88 -39.32 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.186 -1.184 . . . . 0.0 110.873 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.85 11.82 33.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.423 -0.798 . . . . 0.0 111.317 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -155.65 48.89 0.52 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.115 -0.991 . . . . 0.0 110.242 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -148.51 40.7 0.93 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 0.0 110.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mttm . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.397 -179.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.267 0.556 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.42 118.43 2.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.3 p90 -154.24 27.58 0.46 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.539 -0.726 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.76 18.24 8.67 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.984 -1.072 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 8' ' ' VAL . 81.0 p -79.3 -16.83 55.75 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.175 -0.953 . . . . 0.0 110.978 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -77.99 -31.72 50.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.289 -0.882 . . . . 0.0 110.278 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -64.07 -48.63 75.46 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 5' ' ' SER . 11.8 p -64.91 -27.85 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.627 -0.671 . . . . 0.0 109.639 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.0 -36.19 61.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.427 -0.795 . . . . 0.0 109.632 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -65.19 -41.88 94.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.523 -0.736 . . . . 0.0 109.784 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.24 -44.72 90.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 109.707 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -42.01 98.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.527 -0.733 . . . . 0.0 109.845 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.7 -28.93 65.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.231 -0.918 . . . . 0.0 110.166 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -77.22 -36.32 54.83 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.334 -0.854 . . . . 0.0 110.293 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.61 -60.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.757 . . . . 0.0 110.072 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.28 -33.89 75.17 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.494 -0.754 . . . . 0.0 110.703 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.32 92.2 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.25 -39.37 86.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.511 -0.994 . . . . 0.0 109.801 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -65.98 -34.72 78.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.527 -0.733 . . . . 0.0 109.808 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.43 -36.09 35.2 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 24' ' ' TYR . 33.8 t -65.44 -19.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.423 -1.045 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 t80 55.46 32.04 18.15 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.495 -0.753 . . . . 0.0 110.332 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 57.03 36.97 28.45 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-O 121.314 0.578 . . . . 0.0 110.717 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.479 ' H ' HG12 ' A' ' 21' ' ' VAL . 2.0 t80 -104.05 46.71 0.9 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.442 -0.787 . . . . 0.0 109.947 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' HG11 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.159 -0.925 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.895 0.378 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.42 -178.68 4.51 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -82.63 68.25 9.01 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.358 -0.839 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.94 49.81 2.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -0.845 . . . . 0.0 110.101 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -103.13 -19.48 14.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.513 -0.742 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -80.4 -30.11 37.75 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.222 -0.924 . . . . 0.0 110.449 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -61.74 -51.26 69.09 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.551 -0.718 . . . . 0.0 110.321 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.91 -31.42 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.579 -0.701 . . . . 0.0 109.831 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -71.08 -39.63 72.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.493 -0.754 . . . . 0.0 109.526 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -40.78 97.79 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 0.0 109.867 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.8 t80 -63.12 -43.32 98.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.552 -0.717 . . . . 0.0 109.729 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.24 -41.47 88.8 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.591 -0.693 . . . . 0.0 109.88 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -67.36 -37.3 83.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.559 -0.713 . . . . 0.0 109.959 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -33.53 76.25 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.504 -0.748 . . . . 0.0 110.303 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 11' ' ' PHE . 95.7 t -70.64 -51.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.562 -0.711 . . . . 0.0 110.194 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.91 -38.08 67.0 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.288 -0.883 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.61 -46.18 92.84 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.67 -37.57 82.04 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.308 -1.113 . . . . 0.0 110.095 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -63.45 -32.5 73.96 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.522 -0.736 . . . . 0.0 110.211 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.79 8.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.06 -30.48 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.408 -1.054 . . . . 0.0 110.54 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.03 2.54 26.62 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.327 -0.858 . . . . 0.0 111.199 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -114.17 33.74 5.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.07 -1.019 . . . . 0.0 110.027 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -153.15 57.61 0.78 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -0.861 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.881 -1.056 . . . . 0.0 110.442 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 m80 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.895 0.378 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.11 159.82 28.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 53.32 43.61 31.21 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.656 -0.653 . . . . 0.0 110.614 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -88.01 10.02 20.4 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.344 -0.847 . . . . 0.0 111.001 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -86.68 23.97 1.56 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.124 -0.985 . . . . 0.0 111.149 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -106.45 -33.63 7.66 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.043 -1.036 . . . . 0.0 110.438 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.43 -0.794 . . . . 0.0 109.634 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.01 -32.27 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.811 -0.556 . . . . 0.0 109.775 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.37 -40.21 74.14 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -36.86 85.42 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.447 -0.783 . . . . 0.0 109.93 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -64.62 -44.67 89.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.509 -0.744 . . . . 0.0 109.639 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -44.82 95.74 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.561 -0.712 . . . . 0.0 109.765 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -65.68 -36.89 84.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.536 -0.727 . . . . 0.0 109.74 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.0 -43.76 94.99 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.639 -0.663 . . . . 0.0 109.768 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.28 -44.8 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.728 -0.607 . . . . 0.0 109.498 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -62.44 -35.52 79.55 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.67 -0.644 . . . . 0.0 110.342 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.61 -33.47 76.44 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.91 -67.13 0.44 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.156 -1.202 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -61.07 -25.12 66.71 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.862 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.39 82.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -71.12 -26.83 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.433 -1.04 . . . . 0.0 109.785 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -64.61 -31.93 73.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.685 -0.634 . . . . 0.0 110.569 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -111.48 15.68 21.1 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.475 -0.766 . . . . 0.0 110.76 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -152.45 67.22 0.83 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.245 -0.909 . . . . 0.0 109.991 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tptm . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.459 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.878 0.371 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.01 -153.73 0.24 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.85 -0.531 . . . . 0.0 110.77 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.9 m-90 -121.95 -49.55 2.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.22 -0.925 . . . . 0.0 110.046 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -78.73 -5.7 53.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.531 -0.731 . . . . 0.0 111.46 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -86.15 25.15 1.2 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.065 -1.022 . . . . 0.0 111.325 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -106.69 -35.44 7.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -62.26 -39.05 91.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.581 -0.7 . . . . 0.0 109.748 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.37 -31.76 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.638 -0.664 . . . . 0.0 109.77 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -71.69 -37.34 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.595 -0.69 . . . . 0.0 109.84 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -78.71 -35.95 44.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.357 -0.839 . . . . 0.0 109.993 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.85 -50.25 69.6 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.525 -0.734 . . . . 0.0 110.355 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -57.6 -44.3 85.31 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.438 -0.789 . . . . 0.0 110.406 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.41 -38.1 89.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.509 -0.744 . . . . 0.0 110.131 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.73 -41.81 95.67 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.553 -0.717 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.57 -37.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.624 -0.673 . . . . 0.0 109.818 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -66.25 -40.15 89.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.479 -0.763 . . . . 0.0 110.036 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.67 -45.5 92.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.24 -35.6 69.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.528 -0.983 . . . . 0.0 109.989 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.7 -37.09 86.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.58 -0.7 . . . . 0.0 109.657 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.68 -37.65 22.62 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.06 -23.69 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.374 -1.074 . . . . 0.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.47 -12.17 58.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.23 -0.919 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.49 27.94 5.75 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.295 -0.878 . . . . 0.0 110.647 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.95 45.25 0.92 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.354 -0.841 . . . . 0.0 110.193 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.078 0.466 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 131.39 17.89 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.432 -0.792 . . . . 0.0 110.388 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -81.32 75.02 8.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.771 . . . . 0.0 110.019 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -155.12 39.93 0.42 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.482 -0.762 . . . . 0.0 110.139 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 8' ' ' VAL . 9.8 m -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.268 -0.895 . . . . 0.0 110.191 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -75.09 -21.61 58.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.51 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -63.36 -46.41 86.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.398 -0.814 . . . . 0.0 110.275 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 5' ' ' SER . 2.8 p -66.9 -26.68 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.479 -0.763 . . . . 0.0 109.944 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -81.09 -27.61 35.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.486 -0.759 . . . . 0.0 110.106 179.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.73 -37.02 13.96 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.309 -0.869 . . . . 0.0 110.487 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -75.14 -49.29 20.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.356 -0.84 . . . . 0.0 110.613 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.15 -46.98 86.96 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.253 -0.905 . . . . 0.0 110.429 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -37.43 73.01 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.549 -0.72 . . . . 0.0 110.246 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.49 -47.53 66.8 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.437 -0.789 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.41 -47.18 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.697 -0.627 . . . . 0.0 109.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -65.59 -34.16 77.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.461 -0.774 . . . . 0.0 109.883 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.72 -45.89 93.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -35.78 80.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.476 -1.014 . . . . 0.0 110.147 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.62 -23.15 62.75 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.305 -0.872 . . . . 0.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.7 -37.63 2.19 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.04 -43.57 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.23 -1.159 . . . . 0.0 111.122 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -69.36 -17.05 63.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 111.161 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.21 48.97 1.04 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.278 -0.889 . . . . 0.0 110.127 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.91 58.0 0.37 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.454 -0.779 . . . . 0.0 110.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 117.812 -1.089 . . . . 0.0 110.756 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.049 0.452 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 -155.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.437 -0.79 . . . . 0.0 110.511 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 68.51 -68.39 0.18 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.709 -0.619 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -24.8 61.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -73.74 -23.57 59.77 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.466 -0.771 . . . . 0.0 110.518 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -91.62 -34.36 14.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -64.24 -43.6 94.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.446 -0.784 . . . . 0.0 109.752 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.38 -29.43 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.502 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.68 -36.87 68.01 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.7 -0.625 . . . . 0.0 109.564 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -60.96 -45.05 96.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.575 -0.703 . . . . 0.0 109.936 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 72.0 t80 -63.17 -44.65 94.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.542 -0.724 . . . . 0.0 109.815 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -47.46 85.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.582 -0.699 . . . . 0.0 109.974 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tp -57.86 -38.69 76.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.577 -0.702 . . . . 0.0 109.9 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.85 -39.74 92.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.595 -0.69 . . . . 0.0 109.892 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' PHE . 58.9 t -68.94 -37.44 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.676 -0.64 . . . . 0.0 109.765 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.35 -43.16 96.76 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.535 -0.728 . . . . 0.0 109.87 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.97 -51.67 51.43 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.11 -31.99 71.67 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -1.057 . . . . 0.0 110.283 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.85 -21.51 66.0 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.383 -0.823 . . . . 0.0 110.598 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.13 -41.61 1.38 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 -49.15 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.247 -1.149 . . . . 0.0 110.825 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -17.75 64.85 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.436 -0.79 . . . . 0.0 111.091 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -100.7 17.57 21.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.224 -0.923 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.36 37.07 2.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.121 -0.987 . . . . 0.0 110.304 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.294 -0.878 . . . . 0.0 110.667 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.854 0.359 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.54 32.99 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.43 -0.794 . . . . 0.0 110.229 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.514 ' O ' ' HB3' ' A' ' 4' ' ' TYR . 3.7 p-90 -84.26 -173.47 4.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 5.0 t80 65.01 0.34 1.2 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.747 -0.596 . . . . 0.0 111.925 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -64.14 -35.41 80.68 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.58 -1.325 . . . . 0.0 109.981 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -89.3 -26.39 21.15 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.654 . . . . 0.0 109.708 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 48.7 m-85 -60.77 -46.69 89.5 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.528 -0.733 . . . . 0.0 109.738 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 4' ' ' TYR . 8.6 p -63.68 -30.51 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.656 -0.652 . . . . 0.0 109.69 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.89 -39.24 56.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.519 -0.738 . . . . 0.0 109.921 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -61.62 -40.86 96.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.507 -0.746 . . . . 0.0 109.991 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -68.3 -43.24 78.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.449 -0.782 . . . . 0.0 109.887 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.55 -45.12 95.52 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.455 -0.778 . . . . 0.0 109.967 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.29 -38.3 86.28 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.55 -0.719 . . . . 0.0 110.164 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.32 -45.97 88.8 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.554 -0.716 . . . . 0.0 109.919 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.01 -35.07 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.685 -0.635 . . . . 0.0 109.857 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.72 -37.52 86.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.51 93.63 Favored Glycine 0 N--CA 1.496 2.672 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.21 -38.11 87.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.455 -1.027 . . . . 0.0 109.574 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.42 -38.06 80.87 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.598 -0.689 . . . . 0.0 109.382 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.49 -43.15 95.21 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.23 -31.88 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.417 -1.049 . . . . 0.0 110.18 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.93 -25.68 61.12 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.515 -0.741 . . . . 0.0 110.546 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.23 38.53 0.86 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.427 -0.795 . . . . 0.0 110.207 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.27 43.77 1.54 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.407 -0.808 . . . . 0.0 109.85 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.431 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 m80 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.12 0.486 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.03 44.16 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.434 -0.791 . . . . 0.0 110.325 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -92.77 78.9 4.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.388 -0.82 . . . . 0.0 110.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -95.22 -8.68 35.45 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.601 -0.687 . . . . 0.0 110.684 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.61 17.35 21.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.389 -0.819 . . . . 0.0 110.562 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -107.61 -41.49 5.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.283 -0.885 . . . . 0.0 110.138 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -61.02 -40.46 93.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.643 -0.661 . . . . 0.0 109.643 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.78 -32.96 55.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.704 -0.622 . . . . 0.0 109.836 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -74.6 -39.2 62.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.566 -0.709 . . . . 0.0 109.82 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -67.02 -39.73 87.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.376 -0.828 . . . . 0.0 110.005 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.97 -46.32 91.2 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.654 -0.654 . . . . 0.0 109.943 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -41.17 97.77 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -33.54 72.56 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 109.886 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -41.23 84.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.541 -0.725 . . . . 0.0 110.228 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.98 -48.26 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.638 -0.664 . . . . 0.0 109.822 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -67.13 -37.72 84.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.42 -0.8 . . . . 0.0 110.058 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.64 97.42 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.71 -38.66 78.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.46 -1.024 . . . . 0.0 109.997 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -63.98 -35.47 80.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.715 -0.616 . . . . 0.0 109.89 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.01 -37.0 23.4 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.25 -24.11 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.379 -1.071 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -104.87 28.36 7.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.15 -0.969 . . . . 0.0 110.574 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.37 33.45 0.11 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.232 -0.917 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 -8.9 3.31 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.045 -1.034 . . . . 0.0 112.117 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 O-C-N 121.013 -1.054 . . . . 0.0 110.655 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.2 m80 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.048 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 5' ' ' SER . . . -118.09 129.59 55.64 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.479 -0.763 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -108.68 -48.8 3.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.5 -0.75 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -80.49 -1.01 39.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.502 -0.749 . . . . 0.0 111.228 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 23.3 t -68.21 -12.7 61.41 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.226 -0.922 . . . . 0.0 111.583 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -86.1 -27.59 24.58 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.054 -1.029 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -58.48 -48.66 80.06 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 110.039 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.09 -31.1 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.646 -0.659 . . . . 0.0 109.769 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.73 -41.67 74.97 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.609 -0.682 . . . . 0.0 109.751 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -65.86 -39.36 90.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.768 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -59.37 -43.7 92.83 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.63 -0.669 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.83 -44.97 94.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.555 -0.715 . . . . 0.0 109.963 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -65.13 -34.84 79.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.565 -0.709 . . . . 0.0 110.05 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -41.62 96.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 110.021 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.05 -47.52 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.626 -0.671 . . . . 0.0 109.829 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.65 -34.65 78.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.488 -0.757 . . . . 0.0 110.18 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.43 98.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -38.08 84.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.443 -1.033 . . . . 0.0 109.885 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -61.84 -36.47 81.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.596 -0.69 . . . . 0.0 109.552 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.92 -43.21 23.03 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.67 -35.07 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.559 -0.965 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.16 -32.98 72.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.653 . . . . 0.0 110.689 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.63 22.87 7.51 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.481 -0.762 . . . . 0.0 110.664 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.56 38.32 4.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.251 -0.905 . . . . 0.0 110.189 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm . . . . . 0 N--CA 1.496 1.825 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.284 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 32.3 m-70 . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 61.53 99.75 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 121.358 0.599 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -98.93 -60.44 1.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.381 -0.825 . . . . 0.0 110.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 7' ' ' TYR . 35.1 p90 -62.47 -23.96 67.2 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.584 -0.697 . . . . 0.0 110.897 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 74.4 m -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.423 -0.798 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -81.64 -33.39 31.42 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 4' ' ' TYR . 50.8 m-85 -64.31 -45.02 89.73 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -0.75 . . . . 0.0 109.853 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.27 -27.83 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.502 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.35 -39.34 68.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 109.193 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -69.25 -45.78 68.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.58 -0.7 . . . . 0.0 109.37 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 15' ' ' VAL . 27.6 t80 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.553 -0.717 . . . . 0.0 109.632 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.02 -44.44 92.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.441 -0.787 . . . . 0.0 109.411 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.73 -30.38 70.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.425 -0.797 . . . . 0.0 110.216 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.71 -56.12 3.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.347 -0.846 . . . . 0.0 110.196 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' CE2' ' A' ' 11' ' ' PHE . 55.3 t -63.29 -56.19 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.426 -0.796 . . . . 0.0 110.118 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.82 -33.57 75.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.406 -0.809 . . . . 0.0 109.923 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -54.91 30.38 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -36.81 84.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.445 -1.032 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.57 -38.64 91.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.482 -0.761 . . . . 0.0 109.43 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -41.32 27.02 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 24' ' ' TYR . 24.6 t -56.63 -65.11 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.553 -0.969 . . . . 0.0 109.59 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.5 t80 67.56 -54.91 0.48 Allowed 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -137.85 -63.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.744 -0.597 . . . . 0.0 109.757 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.588 ' HB2' HG13 ' A' ' 21' ' ' VAL . 1.7 t80 46.93 51.0 13.21 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.45 0.643 . . . . 0.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 121.302 0.572 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' HB3' ' HD2' ' A' ' 4' ' ' TYR . . . -84.13 172.9 11.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.316 -0.865 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.62 68.22 8.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.45 -0.781 . . . . 0.0 110.478 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 38.7 p90 -114.36 -8.23 12.87 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.377 -0.827 . . . . 0.0 111.034 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.08 -30.54 71.6 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.392 -0.817 . . . . 0.0 110.72 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -82.63 -28.38 30.8 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.467 -0.77 . . . . 0.0 110.239 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.85 -48.3 66.55 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.519 -0.738 . . . . 0.0 109.653 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.12 -27.21 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.792 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.6 -38.13 67.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -42.56 89.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.485 -0.759 . . . . 0.0 109.852 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -64.11 -37.54 87.81 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.628 -0.67 . . . . 0.0 110.004 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.38 -39.92 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.472 -0.767 . . . . 0.0 110.099 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.7 -30.93 70.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.359 -0.838 . . . . 0.0 110.346 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.91 -25.48 61.07 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.3 t -103.78 -57.71 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.322 -0.861 . . . . 0.0 109.713 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -75.83 -32.8 59.95 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.389 -0.819 . . . . 0.0 110.661 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 -50.38 39.9 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -26.46 67.63 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.484 -1.01 . . . . 0.0 110.414 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.594 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 3.1 m-80 -73.27 -23.97 60.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.25 -0.906 . . . . 0.0 110.548 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.33 -27.31 6.2 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.03 -38.38 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.069 -1.254 . . . . 0.0 110.809 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.41 -8.87 20.77 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.359 -0.838 . . . . 0.0 111.486 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.594 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.3 m-85 -134.45 40.97 2.96 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.066 -1.021 . . . . 0.0 110.618 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.86 30.65 1.07 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.209 -0.932 . . . . 0.0 110.561 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.73 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.59 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 23.3 p80 . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.679 0.276 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 67.11 150.9 0.06 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.633 -0.667 . . . . 0.0 110.687 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 16.95 24.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.151 -0.968 . . . . 0.0 111.035 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -130.0 25.18 5.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.196 -0.94 . . . . 0.0 110.436 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.18 26.4 10.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.328 -0.857 . . . . 0.0 110.622 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -107.67 -41.85 4.91 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.116 -0.99 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.61 -43.01 99.66 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.545 -0.722 . . . . 0.0 109.795 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.21 -32.44 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.93 -36.12 69.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.545 -0.722 . . . . 0.0 109.542 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -61.96 -43.15 99.43 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.545 -0.722 . . . . 0.0 109.775 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -62.72 -42.19 99.53 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.587 -0.696 . . . . 0.0 109.694 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -66.95 -44.04 81.58 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.511 -0.743 . . . . 0.0 109.695 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.14 -30.2 70.12 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.585 -0.697 . . . . 0.0 110.274 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.94 -45.24 71.28 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.244 -0.91 . . . . 0.0 109.892 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.59 -47.09 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.695 -0.628 . . . . 0.0 109.649 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -73.49 -22.13 60.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.44 -0.787 . . . . 0.0 110.782 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.62 54.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.13 -39.26 65.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.344 -1.092 . . . . 0.0 110.19 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.55 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 29.3 m-80 -72.83 -11.58 60.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.402 -0.811 . . . . 0.0 110.781 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.56 -34.85 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.82 -55.21 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.239 -1.153 . . . . 0.0 110.3 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -67.14 -31.1 71.3 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.577 -0.702 . . . . 0.0 110.434 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' HB2' ' HA ' ' A' ' 19' ' ' ASN . 1.7 t80 -98.48 35.42 1.81 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.745 . . . . 0.0 110.11 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -159.1 36.62 0.21 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.497 -0.752 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.422 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.313 0.578 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.52 98.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.418 -0.801 . . . . 0.0 109.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -116.0 59.43 0.73 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.492 -0.755 . . . . 0.0 110.166 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -110.55 9.39 23.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.271 -0.893 . . . . 0.0 111.235 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -56.0 -34.74 66.07 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.236 -0.915 . . . . 0.0 110.592 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -86.88 -33.22 19.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.713 . . . . 0.0 109.961 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -64.42 -43.8 93.2 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.621 -0.674 . . . . 0.0 109.974 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.06 -28.98 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.619 -0.676 . . . . 0.0 109.598 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -72.71 -36.88 67.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.498 -0.751 . . . . 0.0 109.387 178.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -67.96 -42.81 80.33 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.53 -0.732 . . . . 0.0 109.984 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -68.99 -44.16 73.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 109.81 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.44 -41.03 98.66 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.493 -0.755 . . . . 0.0 109.948 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.1 -31.59 72.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.559 -0.713 . . . . 0.0 110.026 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.04 -19.78 59.87 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.444 -0.785 . . . . 0.0 110.873 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.79 -61.45 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -66.69 -36.69 83.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.591 -0.693 . . . . 0.0 110.064 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.14 94.21 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.9 -36.53 79.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 0.0 110.051 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -62.23 -35.81 80.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.616 -0.677 . . . . 0.0 109.886 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.06 9.25 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.85 -28.34 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.391 -1.064 . . . . 0.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.52 -33.85 66.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.526 -0.734 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.9 -75.46 0.58 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.414 -0.804 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.1 t80 51.75 49.9 19.82 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.656 -0.652 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 tttp . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.596 -1.192 . . . . 0.0 110.784 -179.955 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.567 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 39.6 t-80 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 120.787 0.327 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 1' ' ' HIS . . . 67.38 120.3 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.255 0 CA-C-O 121.418 0.628 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 5' ' ' SER . 17.6 t-105 -105.65 112.96 26.25 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.232 -0.917 . . . . 0.0 110.225 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.04 26.14 5.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.394 -0.816 . . . . 0.0 110.736 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 3' ' ' TRP . 61.8 m -94.41 -32.39 13.58 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 110.003 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -99.94 -27.62 13.5 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.736 -0.602 . . . . 0.0 109.932 179.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -60.46 -35.67 76.42 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.533 -0.729 . . . . 0.0 109.968 179.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.82 -33.42 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.719 -0.613 . . . . 0.0 109.611 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -42.76 65.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 109.39 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -38.08 81.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.435 -0.79 . . . . 0.0 110.003 179.405 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -63.37 -40.61 97.72 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.6 -0.687 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -43.75 86.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.409 -0.807 . . . . 0.0 109.743 179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.68 -31.36 69.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.406 -0.809 . . . . 0.0 109.913 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -49.63 10.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.598 -0.689 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.09 -54.08 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.701 -0.625 . . . . 0.0 110.555 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -66.64 -30.79 71.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.379 -0.826 . . . . 0.0 110.127 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.41 -44.71 97.33 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HG2' ' CD1' ' A' ' 22' ' ' PHE . 15.3 mt-10 -68.77 -23.79 64.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.384 -1.068 . . . . 0.0 110.304 179.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -73.25 -16.52 61.4 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 0.0 110.398 179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -114.3 -35.86 1.41 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -92.08 -40.91 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.951 -1.323 . . . . 0.0 110.667 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 18' ' ' GLU . 59.4 m-85 -96.6 -9.92 28.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.416 -0.802 . . . . 0.0 111.252 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -128.14 21.11 6.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.185 -0.947 . . . . 0.0 110.712 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -157.8 34.48 0.26 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 110.825 179.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.373 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.094 0.473 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.82 131.83 34.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.475 -0.766 . . . . 0.0 110.076 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.05 9.44 28.07 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.46 -0.775 . . . . 0.0 111.391 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -127.13 18.28 7.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.016 -1.053 . . . . 0.0 110.968 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -106.33 -20.67 13.32 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.122 -0.986 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -88.59 -34.97 17.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.272 -0.893 . . . . 0.0 110.511 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -68.15 -41.29 81.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.493 -0.755 . . . . 0.0 109.812 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -31.12 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 109.618 179.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -39.35 27.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.46 -0.775 . . . . 0.0 109.591 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 5.9 tptp -67.99 -44.75 75.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.68 -45.89 77.39 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.544 -0.723 . . . . 0.0 110.101 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.47 -45.82 92.66 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.449 -0.782 . . . . 0.0 110.328 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.35 -38.47 84.9 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.453 -0.78 . . . . 0.0 110.542 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 10.9 tp -63.89 -39.37 94.03 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.477 -0.764 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.63 -42.17 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.544 -0.722 . . . . 0.0 109.581 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.0 -39.96 91.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.582 -0.699 . . . . 0.0 110.592 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.28 -48.74 76.59 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.69 -44.7 77.14 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -1.013 . . . . 0.0 109.762 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.42 -36.67 73.96 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.642 -0.661 . . . . 0.0 109.584 178.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.83 -48.39 16.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.93 -29.71 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.359 -1.083 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -60.41 -32.2 71.1 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -110.11 -75.14 0.63 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 52.65 38.41 26.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.691 -0.631 . . . . 0.0 111.198 179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 N--CA 1.502 2.128 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.62 179.823 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.9 m80 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.859 0.362 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.7 170.3 8.19 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.399 -0.813 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -92.77 69.2 4.68 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.51 -0.744 . . . . 0.0 110.244 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -109.92 11.71 24.04 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.363 -0.836 . . . . 0.0 111.14 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -57.32 -34.05 68.33 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.202 -0.936 . . . . 0.0 110.588 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -84.22 -34.97 23.78 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.435 -0.791 . . . . 0.0 109.654 179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -64.35 -46.57 82.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.621 -0.675 . . . . 0.0 109.701 179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.25 -28.35 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.653 -0.654 . . . . 0.0 109.674 178.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.65 -36.53 70.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.512 -0.742 . . . . 0.0 109.695 178.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -42.73 81.59 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.499 -0.751 . . . . 0.0 109.972 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.64 -39.56 93.91 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.513 -0.742 . . . . 0.0 110.066 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -63.01 -44.42 96.02 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.481 -0.762 . . . . 0.0 109.979 179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -41.05 97.26 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.72 -0.612 . . . . 0.0 109.921 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.05 -41.47 95.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.603 -0.686 . . . . 0.0 109.954 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.75 -44.38 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.702 -0.624 . . . . 0.0 109.803 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -59.77 -33.4 71.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.566 -0.709 . . . . 0.0 110.717 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -73.49 -51.64 9.44 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -46.4 88.47 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.522 -0.987 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 4.2 m-80 -60.48 -31.2 70.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.703 -0.623 . . . . 0.0 109.928 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -79.71 -36.14 26.62 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 179.577 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 17' ' ' GLY . 34.3 t -49.41 -42.76 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.214 -1.168 . . . . 0.0 111.151 -179.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 19' ' ' ASN . 14.2 p90 -105.99 7.6 32.05 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.237 -0.914 . . . . 0.0 111.424 179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -160.39 74.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.124 -0.985 . . . . 0.0 110.275 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 25.3 t80 -152.74 72.42 0.97 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.686 0.755 . . . . 0.0 109.807 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 pttm . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.71 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.5 t60 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.087 0.47 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.9 -175.02 3.28 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.532 -0.73 . . . . 0.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -82.18 60.5 4.97 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.464 -0.773 . . . . 0.0 110.042 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' HA ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -147.93 22.29 1.11 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.501 -0.749 . . . . 0.0 111.097 -179.912 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 8' ' ' VAL . 86.7 p -73.18 -36.15 66.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.161 -0.962 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.447 ' CD2' HD22 ' A' ' 9' ' ' LEU . 7.1 t-160 -86.39 -24.95 25.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.652 -0.655 . . . . 0.0 109.941 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 35.9 m-85 -60.42 -47.58 85.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 179.344 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 5' ' ' SER . 9.9 p -62.14 -28.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.747 -0.596 . . . . 0.0 110.025 179.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -72.37 -37.68 68.72 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.566 -0.709 . . . . 0.0 109.763 179.115 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -64.66 -44.57 89.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.37 -0.831 . . . . 0.0 109.979 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.23 -42.08 76.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.478 -0.764 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -64.99 -43.55 92.22 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.55 -0.719 . . . . 0.0 110.058 179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.82 -29.37 70.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.481 -0.762 . . . . 0.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -73.31 -31.71 64.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.282 -0.886 . . . . 0.0 110.693 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.4 t -97.84 -62.92 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 0.0 109.906 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -64.11 -33.15 75.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.4 -0.812 . . . . 0.0 110.392 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.29 -47.82 68.66 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.1 -38.79 84.02 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.423 -1.045 . . . . 0.0 110.1 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.74 -33.95 73.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.586 -0.696 . . . . 0.0 110.061 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.547 ' HA2' ' HB2' ' A' ' 24' ' ' TYR . . . -84.37 -43.31 7.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.335 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.71 -29.98 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.08 -1.247 . . . . 0.0 110.597 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -98.46 -13.27 20.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.354 -0.841 . . . . 0.0 111.376 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -152.34 70.95 0.93 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.116 -0.99 . . . . 0.0 110.799 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' HB2' ' HA2' ' A' ' 20' ' ' GLY . 1.2 t80 -167.69 46.1 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.356 -0.84 . . . . 0.0 110.465 179.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.794 179.67 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 N--CA 1.498 1.963 0 CA-C-O 120.562 0.22 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.0 -170.81 2.25 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.15 -0.969 . . . . 0.0 110.322 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.43 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 35.4 p90 -80.87 -146.28 0.05 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.574 -0.704 . . . . 0.0 109.956 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 0.6 OUTLIER 63.25 16.17 9.21 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.328 -0.857 . . . . 0.0 111.238 -179.529 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 p -107.21 -49.57 3.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.139 -0.976 . . . . 0.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -83.89 -35.36 24.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.638 -0.664 . . . . 0.0 109.807 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.95 -45.04 94.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.627 -0.67 . . . . 0.0 109.968 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.95 -25.97 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 C-N-CA 119.889 -0.724 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.28 -40.22 71.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.518 -0.739 . . . . 0.0 109.823 179.12 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -38.43 66.61 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.3 -0.875 . . . . 0.0 110.069 179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 87.5 t80 -63.52 -43.42 97.21 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.396 -0.815 . . . . 0.0 110.082 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -64.19 -41.93 96.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.81 -31.01 71.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.554 -0.716 . . . . 0.0 110.1 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.57 -51.59 8.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.22 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 76.1 t -65.21 -54.84 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.679 -0.638 . . . . 0.0 110.014 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.42 -27.92 64.64 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.358 -0.839 . . . . 0.0 110.354 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.45 -48.04 77.84 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 7.4 mt-10 -66.49 -24.18 66.37 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -1.141 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.04 -20.12 62.42 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.2 -0.937 . . . . 0.0 110.433 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.75 -31.9 1.85 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.89 -27.93 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.055 -1.261 . . . . 0.0 111.119 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -102.44 1.0 34.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.224 -0.923 . . . . 0.0 111.22 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -130.02 32.42 4.53 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.133 -0.979 . . . . 0.0 110.497 179.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -108.36 45.64 1.01 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.334 -0.854 . . . . 0.0 109.964 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.2 pttt . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.78 -179.727 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.0 m80 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.869 0.366 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.8 102.53 2.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.479 -0.763 . . . . 0.0 109.913 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 64.32 151.08 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 121.111 0.481 . . . . 0.0 110.27 -179.49 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER 54.87 18.75 2.31 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.273 -0.892 . . . . 0.0 111.001 -179.526 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -81.14 -3.0 50.67 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.534 -1.354 . . . . 0.0 111.389 179.183 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -93.92 -21.98 18.89 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.077 -1.015 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -64.39 -44.19 92.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.36 -0.838 . . . . 0.0 109.687 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.71 -32.24 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 109.64 178.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.9 -43.31 72.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.698 -0.626 . . . . 0.0 109.469 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -70.19 -43.98 69.63 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.812 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -59.53 -40.42 87.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.62 -41.6 92.53 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.51 -0.744 . . . . 0.0 109.992 179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.0 -33.74 76.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.438 -0.789 . . . . 0.0 110.228 179.576 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.71 -28.89 66.21 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.449 -0.782 . . . . 0.0 110.696 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.8 -48.39 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.0 -22.97 64.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.431 -0.793 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.38 95.16 Favored Glycine 0 N--CA 1.497 2.76 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.663 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' HG22 ' A' ' 21' ' ' VAL . 8.9 mm-40 -66.16 -28.45 68.79 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.408 -1.054 . . . . 0.0 110.214 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -78.35 -10.59 59.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 110.314 178.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' TYR . . . -103.81 -43.04 1.86 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 22' ' ' PHE . 17.7 m -53.38 -42.65 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 O-C-N 121.446 -1.032 . . . . 0.0 111.07 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.8 m-85 -62.9 -27.82 69.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.595 -0.69 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -106.53 23.38 14.31 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.381 -0.824 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -145.67 41.58 1.22 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.261 -0.9 . . . . 0.0 110.432 179.892 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 2' ' ' ALA . 26.3 p80 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.602 0.239 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB2' ' CE1' ' A' ' 1' ' ' HIS . . . -115.6 116.6 28.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.192 -0.943 . . . . 0.0 110.023 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 4' ' ' TYR . 0.9 OUTLIER 65.79 151.96 0.06 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.943 -0.473 . . . . 0.0 110.715 -179.719 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 52.6 p90 33.65 41.72 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 121.557 0.694 . . . . 0.0 111.606 -179.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 m -116.24 7.15 13.97 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.904 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -101.89 -43.87 5.68 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.028 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -62.6 -36.95 84.37 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.642 -0.661 . . . . 0.0 109.916 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.36 -30.9 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.602 -0.686 . . . . 0.0 109.507 178.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.66 -42.56 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.625 -0.672 . . . . 0.0 109.382 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.62 -43.84 65.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.08 -44.16 96.52 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.96 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.06 -45.11 91.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.541 -0.724 . . . . 0.0 109.965 179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.13 -41.69 93.23 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.511 -0.743 . . . . 0.0 110.106 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.513 -0.742 . . . . 0.0 109.933 179.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.13 -35.77 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.735 -0.603 . . . . 0.0 109.854 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -63.67 -40.02 95.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.72 97.7 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.06 -38.4 82.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.622 -0.928 . . . . 0.0 109.822 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -62.88 -39.58 94.91 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.643 -0.661 . . . . 0.0 109.677 179.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.82 -41.69 48.61 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.16 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.37 -34.63 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.547 -0.972 . . . . 0.0 110.364 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -78.06 -16.54 57.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.457 -0.777 . . . . 0.0 110.888 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -112.15 47.17 1.08 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.386 -0.821 . . . . 0.0 109.732 179.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.43 50.14 0.76 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.503 -0.748 . . . . 0.0 110.145 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.6 t60 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.823 0.344 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.27 54.1 0.76 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.335 -0.853 . . . . 0.0 110.226 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 54.71 36.59 26.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.787 -0.57 . . . . 0.0 110.793 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -99.75 21.84 11.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.15 -0.969 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -110.99 5.29 20.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.205 -0.934 . . . . 0.0 110.488 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.71 -36.85 6.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.821 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -59.16 -45.11 91.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.555 -0.716 . . . . 0.0 109.77 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.82 -31.46 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.844 -0.535 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 tp -73.46 -40.06 64.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.508 -0.745 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -65.18 -40.78 94.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.515 -0.74 . . . . 0.0 109.784 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 15' ' ' VAL . 77.4 t80 -61.89 -43.49 98.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.548 -0.72 . . . . 0.0 109.757 179.31 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -58.66 -41.26 85.69 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.641 -0.662 . . . . 0.0 109.808 179.212 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.87 -35.34 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 110.353 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.71 -18.0 57.03 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.414 -0.803 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 11' ' ' PHE . 55.6 t -106.25 -64.41 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -0.893 . . . . 0.0 109.114 179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -69.64 -35.73 75.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.493 -0.754 . . . . 0.0 110.023 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.71 -46.52 67.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -63.88 -28.42 69.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.486 -1.008 . . . . 0.0 110.605 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.19 -24.4 67.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.217 -0.927 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.58 -31.48 3.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.5 t -90.16 -26.28 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.161 -1.2 . . . . 0.0 111.356 -179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.37 21.5 17.3 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.194 -0.941 . . . . 0.0 111.176 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.45 35.7 0.97 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 110.332 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -159.55 -60.5 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 stop_ save_