data_2n6u_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 2n6u _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.449 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 . . . . . 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.528 ' HG ' ' CG ' ' A' ' 17' ' ' ASP . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' CG ' ' HG ' ' A' ' 10' ' ' SER . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.404 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' THR . 29.7 tt0 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.34 -32.21 71.15 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.07 -63.12 1.24 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.153 2.181 . . . . 0.0 111.304 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.284 -1.842 . . . . 0.0 113.733 -177.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.71 -24.73 66.97 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -125.7 24.78 7.08 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.669 1.988 . . . . 0.0 111.619 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 O-C-N 120.806 -1.184 . . . . 0.0 112.07 -178.014 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -80.84 -40.0 25.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.31 5.23 0.79 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.101 3.36 . . . . 0.0 116.322 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.911 1.72 . . . . 0.0 116.722 -177.258 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.2 -30.66 68.38 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.35 -15.35 63.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.468 1.107 . . . . 0.0 113.185 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 O-C-N 119.715 -1.865 . . . . 0.0 111.262 177.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.88 -45.68 56.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 tt -43.45 107.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.956 2.102 . . . . 0.0 113.151 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 C-N-CA 128.404 2.907 . . . . 0.0 112.49 -172.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -64.2 -24.65 67.75 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 58.0 -175.92 0.08 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.153 2.981 . . . . 0.0 112.245 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 O-C-N 118.938 -2.351 . . . . 0.0 113.679 -177.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -55.05 -27.91 48.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.95 -24.04 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.932 2.093 . . . . 0.0 114.117 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 C-N-CA 126.459 1.98 . . . . 0.0 110.327 -165.221 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.47 -28.68 69.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.15 -62.31 1.56 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.311 1.844 . . . . 0.0 109.044 161.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 120.878 -1.139 . . . . 0.0 110.429 -166.71 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.86 -33.72 75.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.8 tp 52.32 53.68 11.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 127.493 2.317 . . . . 0.0 110.668 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.966 2.222 . . . . 0.0 111.175 -173.284 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.55 -20.02 59.09 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.81 162.97 3.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.811 2.044 . . . . 0.0 111.9 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.072 1.796 . . . . 0.0 116.006 168.335 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -72.15 -8.32 54.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 tp 42.92 98.91 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 128.061 2.544 . . . . 0.0 115.617 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 111.562 -178.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.8 -11.7 13.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 tp -50.32 118.65 3.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.756 2.023 . . . . 0.0 112.693 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.357 -2.357 . . . . 0.0 112.935 -177.813 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.449 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.46 -37.24 80.36 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 105.74 0.53 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 119.694 1.134 . . . . 0.0 112.984 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 116.876 -2.069 . . . . 0.0 112.29 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.11 -24.42 64.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.75 79.48 0.2 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 129.804 3.242 . . . . 0.0 109.072 174.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.455 168.218 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.528 ' HG ' ' CG ' ' A' ' 17' ' ' ASP . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' CG ' ' HG ' ' A' ' 10' ' ' SER . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -87.41 -7.53 57.6 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -53.33 145.32 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.772 2.029 . . . . 0.0 111.685 153.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.572 2.034 . . . . 0.0 113.236 -173.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.74 -26.49 68.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.77 92.01 3.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.865 2.466 . . . . 0.0 108.627 164.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 127.636 2.541 . . . . 0.0 115.165 -167.071 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.99 -25.63 65.51 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -84.28 76.15 10.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.074 2.55 . . . . 0.0 109.89 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.316 1.913 . . . . 0.0 113.423 178.541 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' THR . 29.7 tt0 -58.43 -24.94 61.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.18 173.87 11.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.094 2.158 . . . . 0.0 111.644 172.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 C-N-CA 125.316 1.436 . . . . 0.0 111.366 -177.287 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.5 -49.68 76.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.15 132.45 47.84 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.95 2.5 . . . . 0.0 111.825 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 115.668 -2.74 . . . . 0.0 109.773 173.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -8.02 44.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.74 -24.01 66.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.968 2.907 . . . . 0.0 112.637 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 C-N-CA 126.15 1.834 . . . . 0.0 112.397 172.826 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CB ' ' HB3' ' A' ' 7' ' ' ALA 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 15' ' ' PHE . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 4' ' ' GLN . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.456 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.455 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 . . . . . 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.618 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.34 -32.21 71.15 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.07 -63.12 1.24 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.153 2.181 . . . . 0.0 111.304 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.284 -1.842 . . . . 0.0 113.733 -177.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.71 -24.73 66.97 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -125.7 24.78 7.08 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.669 1.988 . . . . 0.0 111.619 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 O-C-N 120.806 -1.184 . . . . 0.0 112.07 -178.014 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CB ' ' HB3' ' A' ' 7' ' ' ALA 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -80.84 -40.0 25.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.31 5.23 0.79 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.101 3.36 . . . . 0.0 116.322 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.911 1.72 . . . . 0.0 116.722 -177.258 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.2 -30.66 68.38 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.35 -15.35 63.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.468 1.107 . . . . 0.0 113.185 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 O-C-N 119.715 -1.865 . . . . 0.0 111.262 177.48 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.88 -45.68 56.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 19' ' ' LEU . 6.3 tt -43.45 107.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.956 2.102 . . . . 0.0 113.151 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 C-N-CA 128.404 2.907 . . . . 0.0 112.49 -172.884 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -64.2 -24.65 67.75 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 58.0 -175.92 0.08 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.153 2.981 . . . . 0.0 112.245 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 O-C-N 118.938 -2.351 . . . . 0.0 113.679 -177.742 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -55.05 -27.91 48.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.95 -24.04 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.932 2.093 . . . . 0.0 114.117 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 C-N-CA 126.459 1.98 . . . . 0.0 110.327 -165.221 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.47 -28.68 69.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.15 -62.31 1.56 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.311 1.844 . . . . 0.0 109.044 161.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 120.878 -1.139 . . . . 0.0 110.429 -166.71 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.86 -33.72 75.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.8 tp 52.32 53.68 11.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 127.493 2.317 . . . . 0.0 110.668 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.966 2.222 . . . . 0.0 111.175 -173.284 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 15' ' ' PHE . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 4' ' ' GLN . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.55 -20.02 59.09 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.3 mm? -58.81 162.97 3.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.811 2.044 . . . . 0.0 111.9 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.072 1.796 . . . . 0.0 116.006 168.335 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -72.15 -8.32 54.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 tp 42.92 98.91 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 128.061 2.544 . . . . 0.0 115.617 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 111.562 -178.592 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.456 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.8 -11.7 13.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 tp -50.32 118.65 3.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.756 2.023 . . . . 0.0 112.693 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.357 -2.357 . . . . 0.0 112.935 -177.813 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.46 -37.24 80.36 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 105.74 0.53 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 119.694 1.134 . . . . 0.0 112.984 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 116.876 -2.069 . . . . 0.0 112.29 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.455 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.11 -24.42 64.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.75 79.48 0.2 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 129.804 3.242 . . . . 0.0 109.072 174.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.455 168.218 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -87.41 -7.53 57.6 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 19' ' ' LEU . 5.5 mp -53.33 145.32 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.772 2.029 . . . . 0.0 111.685 153.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.572 2.034 . . . . 0.0 113.236 -173.64 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.74 -26.49 68.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.77 92.01 3.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.865 2.466 . . . . 0.0 108.627 164.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 127.636 2.541 . . . . 0.0 115.165 -167.071 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.99 -25.63 65.51 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -84.28 76.15 10.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.074 2.55 . . . . 0.0 109.89 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.316 1.913 . . . . 0.0 113.423 178.541 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -58.43 -24.94 61.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.18 173.87 11.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.094 2.158 . . . . 0.0 111.644 172.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 C-N-CA 125.316 1.436 . . . . 0.0 111.366 -177.287 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.5 -49.68 76.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.15 132.45 47.84 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.95 2.5 . . . . 0.0 111.825 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 115.668 -2.74 . . . . 0.0 109.773 173.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.618 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -8.02 44.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.74 -24.01 66.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.968 2.907 . . . . 0.0 112.637 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 C-N-CA 126.15 1.834 . . . . 0.0 112.397 172.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CB ' ' HB3' ' A' ' 7' ' ' ALA 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 15' ' ' PHE . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 4' ' ' GLN . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.455 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 . . . . . 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.469 0 CA-C-O 122.728 1.182 . . . . 0.0 114.293 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.27 -5.7 43.63 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 117.232 2.308 . . . . 0.0 117.232 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.1 p -72.07 -174.03 1.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 119.497 -2.002 . . . . 0.0 113.439 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -129.27 34.05 4.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.368 1.867 . . . . 0.0 111.832 165.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -108.27 121.21 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.99 124.42 22.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.76 172.68 14.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.944 2.498 . . . . 0.0 109.115 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 108.16 9.47 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.158 0.89 . . . . 0.0 110.63 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.13 151.75 42.41 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m -61.7 -41.92 98.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 119.588 -1.945 . . . . 0.0 111.814 170.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.33 -65.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.667 3.187 . . . . 0.0 112.109 -166.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -158.5 154.51 26.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.801 0.84 . . . . 0.0 113.195 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.07 177.0 51.8 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 125.218 1.39 . . . . 0.0 113.163 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -91.04 13.79 15.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.998 1.719 . . . . 0.0 115.637 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.19 170.0 11.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -170.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -71.43 154.54 41.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.988 1.715 . . . . 0.0 113.693 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.16 141.88 33.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.199 1.8 . . . . 0.0 111.954 158.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.34 -32.21 71.15 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.104 1.362 . . . . 0.0 112.878 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.07 -63.12 1.24 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.153 2.181 . . . . 0.0 111.304 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.284 -1.842 . . . . 0.0 113.733 -177.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -22.78 61.86 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.343 3.057 . . . . 0.0 115.156 -168.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -72.57 -175.04 1.52 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 119.874 -1.766 . . . . 0.0 111.945 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -121.63 14.14 10.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.962 2.505 . . . . 0.0 112.415 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.64 125.1 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 126.671 1.989 . . . . 0.0 110.268 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -57.99 111.13 1.07 Allowed 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -173.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.59 -171.69 3.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.287 1.835 . . . . 0.0 112.492 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 108.1 19.71 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.076 1.75 . . . . 0.0 113.132 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.6 138.87 55.41 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.495 1.518 . . . . 0.0 112.306 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m -51.97 -31.07 27.56 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.26 1.824 . . . . 0.0 115.439 170.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.44 -80.44 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 122.628 1.204 . . . . 0.0 109.6 173.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -133.72 155.68 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 120.064 -1.648 . . . . 0.0 113.762 -158.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.09 -162.19 30.89 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 120.966 -1.084 . . . . 0.0 111.686 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -135.64 25.42 3.41 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.595 1.558 . . . . 0.0 113.864 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -115.42 164.85 13.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.798 1.761 . . . . 0.0 111.929 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -67.9 158.81 31.82 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.782 1.633 . . . . 0.0 113.143 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.66 143.05 46.42 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 168.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -61.71 -24.73 66.97 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -168.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -125.7 24.78 7.08 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.669 1.988 . . . . 0.0 111.619 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 O-C-N 120.806 -1.184 . . . . 0.0 112.07 -178.014 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 115.808 1.083 . . . . 0.0 115.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.24 50.53 1.65 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.784 1.634 . . . . 0.0 112.825 -164.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -131.17 -179.28 5.25 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 129.776 3.23 . . . . 0.0 110.059 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -124.03 32.89 5.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.434 1.894 . . . . 0.0 112.927 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -120.32 120.99 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 127.494 2.318 . . . . 0.0 111.425 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.03 111.91 1.49 Allowed 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.282 2.233 . . . . 0.0 111.855 -170.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -154.12 178.26 10.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 0.0 111.205 166.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.81 125.03 26.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.017 -1.677 . . . . 0.0 108.523 168.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -86.73 148.63 25.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.131 1.372 . . . . 0.0 112.13 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.0 t -51.4 -41.68 60.89 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 t -120.28 -76.24 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 C-N-CA 126.814 2.045 . . . . 0.0 110.673 -172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -146.31 161.24 40.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.443 1.592 . . . . 0.0 112.723 -160.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.55 -172.7 38.44 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.489 -168.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -111.13 14.47 21.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -116.02 168.13 10.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.163 0.892 . . . . 0.0 113.394 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CB ' ' HB3' ' A' ' 7' ' ' ALA 0.289 0.8 OUTLIER -74.58 166.36 23.68 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 110.872 -176.558 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.01 146.04 46.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.38 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -80.84 -40.0 25.59 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -168.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.31 5.23 0.79 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 130.101 3.36 . . . . 0.0 116.322 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 C-N-CA 125.911 1.72 . . . . 0.0 116.722 -177.258 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.526 0 CA-C-O 121.683 0.602 . . . . 0.0 114.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tt -72.11 -36.43 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.663 1.585 . . . . 0.0 114.237 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 177.05 0.27 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.55 1.94 . . . . 0.0 114.499 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -124.77 13.51 8.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.306 -1.496 . . . . 0.0 112.871 -155.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 tt -124.7 139.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 127.929 2.492 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.29 122.28 16.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.421 1.888 . . . . 0.0 113.995 -158.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.74 -178.33 7.0 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.84 1.256 . . . . 0.0 111.954 163.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 tp -70.95 109.13 4.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.353 1.061 . . . . 0.0 110.373 165.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.15 141.83 36.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 112.075 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -58.04 -25.87 61.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.15 1.78 . . . . 0.0 114.621 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.53 -66.8 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 125.061 1.344 . . . . 0.0 112.763 -170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 p -151.69 156.94 41.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.53 -164.22 54.82 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 113.784 0.274 . . . . 0.0 113.784 -168.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -136.2 28.11 3.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 128.568 2.747 . . . . 0.0 111.867 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -113.24 162.08 16.44 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.736 1.255 . . . . 0.0 109.539 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -71.17 172.68 8.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.822 -1.799 . . . . 0.0 112.44 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.75 138.73 32.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.763 1.625 . . . . 0.0 114.731 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -59.2 -30.66 68.38 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.565 2.346 . . . . 0.0 112.465 -164.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.35 -15.35 63.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.468 1.107 . . . . 0.0 113.185 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 O-C-N 119.715 -1.865 . . . . 0.0 111.262 177.48 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.523 0.552 0 CA-C-O 122.192 0.884 . . . . 0.0 114.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.1 mt -70.32 -33.85 71.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.511 0.724 . . . . 0.0 111.135 165.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.0 174.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 131.492 3.917 . . . . 0.0 114.878 172.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -123.73 2.97 8.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.636 1.974 . . . . 0.0 113.188 -168.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.5 tt -101.07 149.97 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.917 2.087 . . . . 0.0 110.944 -168.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -86.74 96.85 10.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 119.24 -2.163 . . . . 0.0 114.371 -156.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -144.65 -163.31 1.67 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.986 2.114 . . . . 0.0 109.645 161.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 157.31 16.93 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 121.383 1.901 . . . . 0.0 112.789 167.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.8 152.47 21.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.428 1.891 . . . . 0.0 113.941 -167.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 m -62.57 -43.66 98.25 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.764 -1.21 . . . . 0.0 113.217 168.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.13 -65.42 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 124.213 1.005 . . . . 0.0 111.53 -168.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 p -153.07 156.18 38.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -165.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.03 -173.6 45.0 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 125.463 2.702 . . . . 0.0 112.433 -171.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -125.43 38.72 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 128.002 2.521 . . . . 0.0 112.939 -172.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -122.28 164.37 18.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.426 1.89 . . . . 0.0 112.725 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 23.5 ttp180 -58.94 153.19 17.92 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.67 1.988 . . . . 0.0 110.83 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 61.1 m-20 -69.88 148.85 48.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.779 1.632 . . . . 0.0 112.621 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.88 -45.68 56.95 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.877 -2.419 . . . . 0.0 113.132 -170.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 19' ' ' LEU . 6.3 tt -43.45 107.63 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.956 2.102 . . . . 0.0 113.151 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 C-N-CA 128.404 2.907 . . . . 0.0 112.49 -172.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 CA-C-O 122.987 1.326 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -85.83 -16.18 39.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.867 2.067 . . . . 0.0 110.998 166.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.27 173.96 2.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 131.06 3.744 . . . . 0.0 114.524 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.3 10.52 10.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.895 2.478 . . . . 0.0 111.87 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 tp -96.88 121.65 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 126.332 1.853 . . . . 0.0 110.979 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -64.81 128.78 37.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -164.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.31 -162.8 0.21 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 129.755 3.222 . . . . 0.0 114.105 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.01 105.39 16.59 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.898 1.679 . . . . 0.0 110.535 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.45 145.05 53.08 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.01 0.924 . . . . 0.0 112.878 -170.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -63.21 -40.69 98.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 119.898 -1.752 . . . . 0.0 114.691 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -92.66 -59.84 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.088 0.955 . . . . 0.0 109.542 -173.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.4 t -167.36 153.61 7.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.7 -177.74 25.79 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 173.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -115.63 21.03 14.28 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 131.171 3.788 . . . . 0.0 114.304 -160.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.73 158.73 37.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.272 1.034 . . . . 0.0 110.977 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.09 157.39 38.27 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -70.12 144.11 52.16 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.709 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -64.2 -24.65 67.75 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 127.019 2.127 . . . . 0.0 113.638 -168.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 58.0 -175.92 0.08 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 129.153 2.981 . . . . 0.0 112.245 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.137 0 O-C-N 118.938 -2.351 . . . . 0.0 113.679 -177.742 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.518 0 CA-C-O 121.737 0.632 . . . . 0.0 112.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -113.44 70.31 0.72 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.304 1.842 . . . . 0.0 109.167 168.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -151.8 -167.66 2.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 129.769 3.228 . . . . 0.0 108.298 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -133.14 -0.14 3.37 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.159 2.184 . . . . 0.0 113.972 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt -94.51 109.78 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 124.185 0.994 . . . . 0.0 113.17 -165.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.61 113.32 1.26 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 -166.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.29 -162.26 0.45 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.23 2.612 . . . . 0.0 110.032 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.95 132.5 49.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.235 -0.915 . . . . 0.0 110.312 167.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.32 150.07 30.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 128.629 2.771 . . . . 0.0 111.465 -177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.7 p -58.89 -29.44 67.03 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.547 1.539 . . . . 0.0 114.421 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.58 -71.57 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 124.793 1.237 . . . . 0.0 110.612 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 p -153.74 161.85 41.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.911 0.862 . . . . 0.0 111.232 -171.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.75 166.67 42.39 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 126.415 1.959 . . . . 0.0 113.832 -171.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -105.99 32.5 4.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.04 -1.859 . . . . 0.0 113.669 -166.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.05 162.1 29.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 122.668 0.387 . . . . 0.0 111.333 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -76.19 150.76 37.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.053 0.941 . . . . 0.0 110.9 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 5.2 m-20 -57.7 153.69 13.02 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -55.05 -27.91 48.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.866 2.066 . . . . 0.0 111.069 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.95 -24.04 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.932 2.093 . . . . 0.0 114.117 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 C-N-CA 126.459 1.98 . . . . 0.0 110.327 -165.221 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 114.706 0.642 . . . . 0.0 114.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 tt -86.39 65.61 9.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.546 2.339 . . . . 0.0 110.626 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.2 p -139.4 -169.18 2.62 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 129.124 2.97 . . . . 0.0 110.959 174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -129.25 16.78 6.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.331 2.252 . . . . 0.0 112.293 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -115.18 135.11 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 126.604 1.962 . . . . 0.0 110.1 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.14 128.23 35.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -166.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.76 -176.74 5.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.906 2.482 . . . . 0.0 111.751 165.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.27 127.54 35.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 120.481 -1.387 . . . . 0.0 109.01 141.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.81 171.14 3.62 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 p -45.13 -63.32 0.96 Allowed 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.082 1.753 . . . . 0.0 115.5 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.8 -63.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 O-C-N 121.081 -1.012 . . . . 0.0 109.173 168.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -171.4 156.5 4.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.826 1.25 . . . . 0.0 113.019 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.73 158.15 10.9 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 126.05 1.786 . . . . 0.0 110.812 -171.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -85.95 2.5 45.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.147 1.379 . . . . 0.0 113.741 -163.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -127.73 168.34 15.23 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.946 1.355 . . . . 0.0 112.043 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -78.39 154.06 31.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 127.902 2.481 . . . . 0.0 114.673 -170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -71.55 135.4 47.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 122.474 1.13 . . . . 0.0 109.442 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -64.47 -28.68 69.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.394 1.478 . . . . 0.0 113.694 -162.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.15 -62.31 1.56 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.311 1.844 . . . . 0.0 109.044 161.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 O-C-N 120.878 -1.139 . . . . 0.0 110.429 -166.71 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.507 0 CA-C-O 123.799 1.777 . . . . 0.0 115.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.33 -14.99 59.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.487 1.515 . . . . 0.0 114.678 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 p -74.02 -178.43 3.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.027 -1.671 . . . . 0.0 113.414 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -125.27 22.55 7.79 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.299 1.04 . . . . 0.0 112.636 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -105.91 135.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 127.318 2.247 . . . . 0.0 109.255 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -73.47 119.9 18.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -162.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.99 172.27 17.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.591 1.956 . . . . 0.0 111.394 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.97 106.89 1.7 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.544 1.938 . . . . 0.0 111.185 162.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -70.53 145.06 51.09 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 120.53 -1.356 . . . . 0.0 112.656 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -55.07 -23.64 21.31 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 170.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -133.2 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.643 1.177 . . . . 0.0 110.364 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -156.79 158.39 36.74 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -167.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.96 -176.54 33.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 124.459 1.028 . . . . 0.0 114.34 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -112.67 19.63 17.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.742 2.017 . . . . 0.0 115.382 -168.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -123.81 163.41 21.26 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 125.695 1.598 . . . . 0.0 113.607 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -73.12 156.71 38.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.925 1.29 . . . . 0.0 114.055 -170.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -72.77 135.17 45.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.263 1.425 . . . . 0.0 111.655 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -62.86 -33.72 75.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.555 2.342 . . . . 0.0 114.059 -170.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.8 tp 52.32 53.68 11.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 127.493 2.317 . . . . 0.0 110.668 -174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 C-N-CA 126.966 2.222 . . . . 0.0 111.175 -173.284 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.35 -45.85 78.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.178 1.391 . . . . 0.0 113.474 164.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.02 159.36 0.27 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.287 1.835 . . . . 0.0 114.362 161.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 15' ' ' PHE . 63.5 mt-30 -128.93 16.84 6.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.3 tt -78.77 141.25 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 124.879 1.272 . . . . 0.0 109.746 166.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 132.88 52.34 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 120.44 1.473 . . . . 0.0 114.88 -173.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.54 -165.91 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 130.629 3.571 . . . . 0.0 108.122 165.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 tp -89.83 136.29 33.13 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 119.101 -2.25 . . . . 0.0 112.454 155.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -90.08 151.68 21.51 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.681 1.192 . . . . 0.0 113.275 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -55.72 -56.07 24.84 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.674 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.2 -59.64 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 119.109 0.868 . . . . 0.0 109.133 -170.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 p -159.46 161.93 35.53 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.557 -170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -179.45 50.62 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 122.435 1.019 . . . . 0.0 115.534 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -112.22 33.49 4.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.799 2.039 . . . . 0.0 111.003 -166.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' CG ' ' HA ' ' A' ' 4' ' ' GLN . 25.9 m-85 -130.7 155.95 45.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.51 155.09 41.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.493 1.139 . . . . 0.0 110.05 176.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.45 146.98 34.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.991 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.55 -20.02 59.09 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -168.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 19' ' ' LEU . 2.3 mm? -58.81 162.97 3.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.811 2.044 . . . . 0.0 111.9 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.072 1.796 . . . . 0.0 116.006 168.335 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.426 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tt -72.3 -33.08 67.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 112.432 -170.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 p -77.24 -167.15 0.84 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.544 1.138 . . . . 0.0 112.952 -173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -132.97 10.61 4.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.749 0.82 . . . . 0.0 112.734 -165.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -101.13 143.59 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 C-N-CA 126.941 2.096 . . . . 0.0 110.996 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.33 100.78 0.85 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.416 1.487 . . . . 0.0 112.965 -169.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.0 171.81 18.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.055 1.742 . . . . 0.0 109.992 167.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 113.39 14.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.403 1.881 . . . . 0.0 109.325 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.99 141.05 56.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 122.829 0.451 . . . . 0.0 112.142 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -47.05 -43.64 20.07 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -120.72 -69.36 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.89 1.676 . . . . 0.0 109.701 -173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 p -157.14 169.72 24.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.971 1.367 . . . . 0.0 111.028 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.81 -176.57 47.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 125.362 1.458 . . . . 0.0 112.756 -154.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -123.12 12.78 9.63 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.054 2.142 . . . . 0.0 115.494 -173.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.08 170.83 14.41 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 125.06 1.344 . . . . 0.0 110.072 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -68.44 158.85 32.82 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.744 1.618 . . . . 0.0 114.852 -172.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -71.54 151.44 43.85 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.695 1.998 . . . . 0.0 111.51 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -72.15 -8.32 54.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 173.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 tp 42.92 98.91 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 128.061 2.544 . . . . 0.0 115.617 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 111.562 -178.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.756 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -92.82 10.03 32.68 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.362 1.465 . . . . 0.0 114.226 -163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -71.76 -178.21 2.2 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.283 -2.136 . . . . 0.0 112.031 166.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.2 11.35 21.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 127.359 2.263 . . . . 0.0 113.144 168.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.6 145.29 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.758 1.623 . . . . 0.0 111.612 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -82.94 107.83 15.82 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 117.722 2.49 . . . . 0.0 117.722 -158.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -151.36 165.22 34.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 127.956 2.502 . . . . 0.0 108.923 164.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.49 121.54 17.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 122.56 1.172 . . . . 0.0 108.72 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.84 142.28 51.26 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.433 -1.417 . . . . 0.0 111.895 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -65.42 -24.28 67.16 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 119.205 -2.184 . . . . 0.0 116.604 175.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.34 -68.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 125.139 1.376 . . . . 0.0 111.265 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -160.51 148.93 16.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.976 1.71 . . . . 0.0 108.917 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.39 -176.45 27.77 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 125.797 1.665 . . . . 0.0 115.238 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -122.71 10.47 9.66 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.706 2.402 . . . . 0.0 112.262 -169.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -111.07 159.19 18.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 122.254 1.026 . . . . 0.0 110.988 161.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -61.68 159.48 13.35 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.421 2.688 . . . . 0.0 113.624 -170.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -60.63 129.21 40.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.518 1.127 . . . . 0.0 112.864 161.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.8 -11.7 13.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.192 2.597 . . . . 0.0 117.117 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 tp -50.32 118.65 3.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.756 2.023 . . . . 0.0 112.693 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.357 -2.357 . . . . 0.0 112.935 -177.813 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 115.267 0.867 . . . . 0.0 115.267 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.81 56.49 3.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.362 1.065 . . . . 0.0 110.288 -168.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 p -124.92 -176.92 3.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 127.095 2.158 . . . . 0.0 110.631 171.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -121.88 13.63 10.68 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.599 1.959 . . . . 0.0 113.669 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 tp -109.78 136.38 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 127.544 2.338 . . . . 0.0 109.931 -176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -78.51 97.77 5.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.035 0.934 . . . . 0.0 112.463 -158.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.64 170.44 17.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.495 1.918 . . . . 0.0 111.769 165.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 125.14 29.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 119.753 -1.842 . . . . 0.0 110.393 -178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.63 155.56 33.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.745 1.618 . . . . 0.0 114.207 -174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.0 m -60.85 -55.39 33.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 167.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.27 -65.38 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-O 122.624 1.202 . . . . 0.0 111.743 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -160.24 160.45 32.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.022 0.929 . . . . 0.0 112.887 -165.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 -174.64 41.95 Favored Glycine 0 CA--C 1.523 0.535 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.055 -167.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -134.63 45.03 2.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.3 2.24 . . . . 0.0 111.797 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -111.31 156.41 21.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.493 158.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -60.4 156.95 14.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.55 1.94 . . . . 0.0 113.21 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 54.9 m-20 -66.82 141.27 57.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.4 2.28 . . . . 0.0 110.594 166.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.46 -37.24 80.36 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 105.74 0.53 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 119.694 1.134 . . . . 0.0 112.984 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 116.876 -2.069 . . . . 0.0 112.29 179.697 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.511 0 N-CA-C 114.763 0.665 . . . . 0.0 114.763 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.0 23.97 13.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -164.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -80.79 -163.5 0.59 Allowed 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.254 2.221 . . . . 0.0 113.394 158.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -127.13 3.21 6.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.15 1.38 . . . . 0.0 114.681 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 tp -87.28 126.96 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 125.353 1.461 . . . . 0.0 112.112 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.87 104.14 0.66 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.224 -1.548 . . . . 0.0 112.766 -175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.06 163.64 38.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 129.982 3.313 . . . . 0.0 110.996 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.02 114.17 4.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 119.797 -1.815 . . . . 0.0 111.531 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.65 157.04 38.01 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 121.882 -0.511 . . . . 0.0 110.831 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -71.79 -29.55 64.58 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.936 0.894 . . . . 0.0 113.233 170.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.52 -73.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 C-N-CA 126.652 1.981 . . . . 0.0 110.745 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.0 m -152.9 150.02 28.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.122 1.369 . . . . 0.0 111.66 -164.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.84 -168.27 53.43 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-O 122.769 1.205 . . . . 0.0 113.824 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -122.09 17.54 10.81 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 127.261 2.224 . . . . 0.0 114.441 -165.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -109.7 168.73 9.19 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.148 0.885 . . . . 0.0 113.256 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -63.42 158.9 19.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.248 1.819 . . . . 0.0 112.257 174.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.455 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 12.1 m-20 -79.22 144.13 34.68 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.84 0.856 . . . . 0.0 111.047 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.11 -24.42 64.64 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.787 1.235 . . . . 0.0 113.642 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.75 79.48 0.2 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 129.804 3.242 . . . . 0.0 109.072 174.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.455 168.218 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.507 0 N-CA-C 114.965 0.746 . . . . 0.0 114.965 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.17 -13.59 58.47 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.959 2.104 . . . . 0.0 114.38 173.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -69.35 -173.64 0.57 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.406 1.482 . . . . 0.0 113.769 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -130.48 13.01 5.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 127.037 2.135 . . . . 0.0 113.57 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 tt -91.47 118.21 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 C-N-CA 125.159 1.384 . . . . 0.0 111.382 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -54.79 108.98 0.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 119.857 -1.777 . . . . 0.0 114.051 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.37 -174.49 4.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.432 1.587 . . . . 0.0 108.673 170.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.09 119.37 19.16 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 118.455 -2.653 . . . . 0.0 112.866 168.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -86.7 149.67 24.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 120.034 1.288 . . . . 0.0 113.836 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.5 m -64.61 -39.43 93.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.476 -1.39 . . . . 0.0 113.04 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.75 -68.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.237 1.815 . . . . 0.0 111.191 -170.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -141.38 147.59 38.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.705 1.202 . . . . 0.0 111.993 -164.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.04 177.69 43.16 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.554 -0.748 . . . . 0.0 114.746 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.59 36.73 3.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -169.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -126.99 168.13 14.96 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.292 1.437 . . . . 0.0 112.375 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -67.23 149.37 50.52 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 60.9 m-20 -57.8 146.4 31.64 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 123.675 1.702 . . . . 0.0 111.638 174.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -87.41 -7.53 57.6 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 19' ' ' LEU . 5.5 mp -53.33 145.32 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.772 2.029 . . . . 0.0 111.685 153.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.572 2.034 . . . . 0.0 113.236 -173.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.45 0 CA-C-O 121.233 0.352 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.6 54.86 2.99 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.651 1.98 . . . . 0.0 111.047 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 -175.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.72 2.008 . . . . 0.0 111.747 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -131.3 45.54 2.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.052 1.741 . . . . 0.0 112.074 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.89 116.79 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 126.064 1.746 . . . . 0.0 108.434 174.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -53.96 113.17 1.12 Allowed 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 120.011 -1.68 . . . . 0.0 114.491 -170.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -163.6 -173.58 3.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 129.246 3.019 . . . . 0.0 110.073 169.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.1 126.09 39.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.286 1.434 . . . . 0.0 109.44 169.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.61 154.33 27.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.988 2.915 . . . . 0.0 112.583 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -68.31 -25.05 64.94 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 168.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.57 -63.51 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.894 1.278 . . . . 0.0 113.883 -169.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.1 p -153.76 160.5 42.3 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.946 2.098 . . . . 0.0 114.079 -160.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 -163.48 30.54 Favored Glycine 0 CA--C 1.523 0.545 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.408 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -131.74 51.02 2.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.174 1.39 . . . . 0.0 111.382 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -133.61 167.03 21.24 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.956 1.702 . . . . 0.0 113.231 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -72.8 157.7 36.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 119.372 -2.08 . . . . 0.0 112.52 -178.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 63.1 m-20 -62.22 136.76 58.08 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.264 1.026 . . . . 0.0 113.452 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.74 -26.49 68.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.252 1.421 . . . . 0.0 112.381 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 tt -116.77 92.01 3.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.865 2.466 . . . . 0.0 108.627 164.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 127.636 2.541 . . . . 0.0 115.165 -167.071 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 115.992 1.157 . . . . 0.0 115.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.62 -19.88 32.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 127.318 2.247 . . . . 0.0 113.113 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.65 159.53 3.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 112.154 165.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -105.26 16.84 25.02 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -168.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 tp -128.13 134.74 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 126.797 2.039 . . . . 0.0 111.314 -161.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -54.79 125.79 21.52 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.745 2.018 . . . . 0.0 116.207 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.16 -179.45 0.89 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 130.464 3.506 . . . . 0.0 108.957 164.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.31 115.85 22.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.888 -0.507 . . . . 0.0 110.594 171.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.79 148.77 47.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.916 1.286 . . . . 0.0 112.91 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.2 m -60.0 -31.28 69.78 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.667 -2.521 . . . . 0.0 114.485 172.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -123.43 -63.93 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 122.567 0.347 . . . . 0.0 111.415 -167.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 p -146.46 146.76 30.67 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.923 1.689 . . . . 0.0 110.985 -163.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.0 -171.27 35.62 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.48 22.49 12.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 127.248 2.219 . . . . 0.0 112.146 -157.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -118.96 161.18 20.63 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.504 1.122 . . . . 0.0 110.101 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -66.94 164.8 16.78 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.119 1.368 . . . . 0.0 111.642 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.78 142.85 42.23 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 122.534 1.159 . . . . 0.0 112.64 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.99 -25.63 65.51 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.972 0.891 . . . . 0.0 112.237 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -84.28 76.15 10.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.074 2.55 . . . . 0.0 109.89 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.316 1.913 . . . . 0.0 113.423 178.541 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -90.44 59.96 4.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.643 1.577 . . . . 0.0 110.502 -163.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -134.43 -176.87 4.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.521 2.328 . . . . 0.0 110.471 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -116.03 10.7 15.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.42 1.888 . . . . 0.0 114.299 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -99.61 117.28 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 119.027 -2.296 . . . . 0.0 110.041 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.64 114.56 1.74 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.397 1.479 . . . . 0.0 114.529 -174.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.07 164.64 18.13 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 128.183 2.593 . . . . 0.0 106.899 173.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.2 117.09 17.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 123.648 1.689 . . . . 0.0 110.463 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.81 147.53 53.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.478 1.111 . . . . 0.0 112.732 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -57.72 -25.91 61.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.63 -63.36 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.09 0.956 . . . . 0.0 113.563 -172.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -161.49 156.67 23.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.923 1.344 . . . . 0.0 112.57 -167.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.34 171.26 47.34 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 125.416 1.484 . . . . 0.0 112.079 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -94.14 16.03 15.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.573 1.949 . . . . 0.0 115.181 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -137.84 168.44 19.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 113.076 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -66.68 159.36 27.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.994 1.318 . . . . 0.0 112.382 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.63 134.01 55.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.775 0.83 . . . . 0.0 112.917 164.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -58.43 -24.94 61.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.18 173.87 11.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.094 2.158 . . . . 0.0 111.644 172.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 C-N-CA 125.316 1.436 . . . . 0.0 111.366 -177.287 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.53 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.35 1.61 54.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -174.69 1.39 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 120.166 -1.583 . . . . 0.0 111.04 159.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -130.42 0.74 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.723 2.009 . . . . 0.0 112.643 -161.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -98.7 130.41 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.733 1.613 . . . . 0.0 110.943 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -71.6 104.56 3.36 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.542 1.137 . . . . 0.0 113.774 -161.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.99 175.36 11.05 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 127.673 2.389 . . . . 0.0 112.122 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.21 120.16 20.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.63 1.105 . . . . 0.0 110.43 169.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.45 149.0 44.59 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 173.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.5 m -60.15 -30.31 69.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 118.755 -2.465 . . . . 0.0 113.276 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.2 t -128.04 -55.56 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.425 1.49 . . . . 0.0 111.211 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -164.5 152.92 12.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -162.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.58 177.76 50.61 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 125.112 1.339 . . . . 0.0 112.922 -171.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -111.84 17.97 19.31 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.462 1.905 . . . . 0.0 116.031 -167.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -122.14 167.86 12.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 122.982 1.372 . . . . 0.0 112.527 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -65.62 154.06 39.85 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.241 1.416 . . . . 0.0 110.78 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 62.9 m-20 -71.3 144.14 50.08 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.924 0.869 . . . . 0.0 110.563 170.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.5 -49.68 76.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.162 1.385 . . . . 0.0 110.954 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.1 tp -67.15 132.45 47.84 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.95 2.5 . . . . 0.0 111.825 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 115.668 -2.74 . . . . 0.0 109.773 173.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 116.367 1.307 . . . . 0.0 116.367 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.15 10.74 13.6 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -84.98 -174.62 5.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 119.735 -1.853 . . . . 0.0 113.158 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.42 9.41 9.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.82 1.785 . . . . 0.0 115.82 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.4 tt -93.19 125.26 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 O-C-N 120.337 -1.477 . . . . 0.0 108.989 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -60.57 107.3 0.66 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.163 2.185 . . . . 0.0 110.748 -174.48 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.42 -179.03 7.39 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.291 2.637 . . . . 0.0 111.488 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.9 102.7 13.33 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.079 -1.638 . . . . 0.0 111.272 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -63.0 150.02 43.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.746 1.218 . . . . 0.0 111.878 175.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.6 m -69.08 -30.99 69.43 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.248 2.219 . . . . 0.0 114.619 169.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.66 -68.96 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 126.416 1.886 . . . . 0.0 110.459 -166.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -156.4 155.96 33.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.608 1.163 . . . . 0.0 112.595 -168.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.23 -173.06 55.29 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 126.2 1.857 . . . . 0.0 113.401 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -105.06 14.83 28.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.86 170.15 9.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.339 -1.476 . . . . 0.0 113.438 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -69.57 157.81 36.48 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 1' ' ' GLY . 70.8 m-20 -65.22 133.85 52.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 170.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -8.02 44.46 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.232 2.213 . . . . 0.0 110.869 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.74 -24.01 66.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.968 2.907 . . . . 0.0 112.637 -174.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 C-N-CA 126.15 1.834 . . . . 0.0 112.397 172.826 . . . . . . . . 0 0 . 1 stop_ save_