data_1qa5_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 1qa5 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 17' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 120.76 0.314 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . 0.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . 0.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.506 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . 0.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . 0.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . 0.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . 0.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . 0.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . 0.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 39' ' ' LYS . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . 0.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . 0.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . 0.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . 0.0 109.873 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . 0.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . 0.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . 0.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . 0.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . 0.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . 0.0 109.613 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . 0.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . 0.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . 0.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . 0.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . 0.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . 0.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . 0.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . 0.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . 0.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . 0.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . 0.0 109.043 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . 0.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . 0.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . 0.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . 0.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . 0.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 43' ' ' ILE . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . 0.0 108.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . 0.0 110.257 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.87 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.73 -142.63 47.13 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.51 36.1 9.56 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.844 -0.798 . . . . 0.0 110.509 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -96.26 170.82 8.98 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.326 -0.859 . . . . 0.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.18 86.3 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -155.17 141.46 18.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.472 -0.767 . . . . 0.0 109.531 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 165.92 34.7 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.39 -0.819 . . . . 0.0 110.34 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -122.17 -179.6 4.22 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.581 -0.699 . . . . 0.0 109.89 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.2 p -155.51 172.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.296 -0.878 . . . . 0.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 58.08 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 122.194 0.997 . . . . 0.0 112.184 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.95 178.75 32.34 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.42 81.03 2.57 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.438 -1.036 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -80.66 45.22 1.93 Allowed 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 123.028 2.485 . . . . -10.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.155 -0.966 . . . . 0.0 109.83 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.89 -31.97 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.646 -0.659 . . . . 0.0 109.725 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 -46.91 -35.97 7.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.939 -0.476 . . . . 0.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . 0.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . 0.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.506 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . 0.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . 0.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . 0.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . 0.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . 0.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . 0.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . 0.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 39' ' ' LYS . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . 0.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . 0.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . 0.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . 0.0 109.873 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . 0.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . 0.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . 0.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . 0.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . 0.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . 0.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 137.79 51.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . 0.0 109.613 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -96.07 140.05 31.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.649 -0.657 . . . . 0.0 109.493 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.28 -129.5 2.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.8 -0.562 . . . . 0.0 109.752 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.36 -153.65 0.25 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.195 -0.94 . . . . 0.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -146.25 168.38 21.19 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.232 -0.918 . . . . 0.0 110.057 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 44.17 85.54 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.553 0.692 . . . . 0.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.62 167.37 11.13 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.579 -0.701 . . . . 0.0 110.031 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.99 -167.66 0.14 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.715 -0.616 . . . . 0.0 110.187 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.41 36.12 4.68 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.507 -0.746 . . . . 0.0 110.388 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -163.15 131.67 3.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.416 -0.802 . . . . 0.0 109.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.5 m95 57.12 62.47 2.2 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.807 -0.558 . . . . 0.0 109.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.9 155.16 0.81 Allowed Glycine 0 N--CA 1.498 2.773 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 104.63 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.791 -0.829 . . . . 0.0 109.773 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -65.24 120.06 12.03 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.804 -1.185 . . . . 0.0 111.858 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 153.99 1.8 Allowed 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.576 -0.702 . . . . 0.0 110.791 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 17.1 tptp -165.71 161.43 18.11 Favored 'General case' 0 N--CA 1.517 2.88 0 O-C-N 121.041 -1.037 . . . . 0.0 111.239 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 -166.47 2.28 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.45 -0.781 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -167.25 174.56 8.03 Favored 'General case' 0 N--CA 1.517 2.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.483 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -119.14 -173.19 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 O-C-N 121.799 -0.563 . . . . 0.0 110.032 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.519 ' N ' HG13 ' A' ' 10' ' ' VAL . 1.5 p -134.79 173.3 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.675 0 O-C-N 121.049 -1.032 . . . . 0.0 110.593 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.21 -164.07 10.5 Favored Glycine 0 N--CA 1.514 3.863 0 O-C-N 121.298 -0.876 . . . . 0.0 111.661 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -152.56 113.65 2.81 Favored Pre-proline 0 N--CA 1.514 2.747 0 O-C-N 121.424 -1.045 . . . . 0.0 111.686 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -87.51 97.83 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 123.308 2.672 . . . . -10.0 111.105 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.52 -50.43 5.62 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.986 -1.071 . . . . 0.0 113.222 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 p -56.75 -20.6 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.789 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -35.64 4.02 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.191 -0.943 . . . . 0.0 112.721 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . 0.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . 0.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . 0.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . 0.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . 0.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . 0.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . 0.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . 0.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . 0.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . 0.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . 0.0 110.101 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . 0.0 109.043 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . 0.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . 0.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . 0.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . 0.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . 0.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . 0.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 43' ' ' ILE . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . 0.0 108.924 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.45 157.53 46.56 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . 0.0 110.257 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -136.12 117.05 14.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.661 -0.65 . . . . 0.0 109.562 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.32 -145.86 0.44 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.975 -0.453 . . . . 0.0 111.25 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.89 128.07 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.793 0.806 . . . . 0.0 111.64 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -131.34 -111.58 0.25 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.575 -0.703 . . . . 0.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 166.24 33.34 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 120.724 -1.235 . . . . 0.0 110.226 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.65 -122.5 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.568 0 O-C-N 121.15 -0.969 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.88 148.2 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.141 -0.975 . . . . 0.0 112.088 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.53 128.67 0.12 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.463 -0.773 . . . . 0.0 110.425 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' TRP . . . 171.61 172.56 0.09 Allowed 'General case' 0 N--CA 1.517 2.888 0 O-C-N 121.725 -0.609 . . . . 0.0 109.693 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' A' ' 58' ' ' NH2 . 1.5 p90 52.64 -178.39 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.417 -0.802 . . . . 0.0 111.798 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' NH2 . . . . . 0.47 ' N ' ' CD1' ' A' ' 57' ' ' TRP . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.439 -2.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.548 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 120.76 0.314 . . . . -10.0 110.678 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . -10.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . -10.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . -10.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . -10.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . -10.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . -10.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . -10.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . -10.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . -10.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . -10.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . -10.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . -10.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . -10.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 35' ' ' ARG . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . -10.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . -10.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . -10.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . -10.0 109.873 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . -10.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . -10.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . -10.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . -10.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . -10.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . -10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . -10.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 43' ' ' ILE . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . -10.0 108.671 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . -10.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . -10.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . -10.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . -10.0 109.613 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 112.721 0.637 . . . . -10.0 112.721 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . -10.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . -10.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . -10.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . -10.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . -10.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . -10.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . -10.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . -10.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . -10.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . -10.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . -10.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . -10.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . -10.0 110.101 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' GLY . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . -10.0 109.043 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . -10.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . -10.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . -10.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . -10.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . -10.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . -10.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . -10.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . -10.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . -10.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . -10.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . -10.0 108.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . -10.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . -10.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . -10.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . -10.0 110.257 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.87 0 N-CA-C 110.47 -1.052 . . . . -10.0 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.73 -142.63 47.13 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.334 -1.106 . . . . -10.0 110.334 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.51 36.1 9.56 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.844 -0.798 . . . . -10.0 110.509 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -96.26 170.82 8.98 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.326 -0.859 . . . . -10.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.18 86.3 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 121.572 0.701 . . . . -10.0 110.96 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -155.17 141.46 18.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.472 -0.767 . . . . -10.0 109.531 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 165.92 34.7 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.39 -0.819 . . . . -10.0 110.34 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -122.17 -179.6 4.22 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.581 -0.699 . . . . -10.0 109.89 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.2 p -155.51 172.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.296 -0.878 . . . . -10.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 58.08 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 122.194 0.997 . . . . -10.0 112.184 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.95 178.75 32.34 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 109.934 -1.266 . . . . -10.0 109.934 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.42 81.03 2.57 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.438 -1.036 . . . . -10.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -80.66 45.22 1.93 Allowed 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 123.028 2.485 . . . . -10.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.155 -0.966 . . . . -10.0 109.83 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' HB3' ' A' ' 20' ' ' MET . 45.8 t -57.89 -31.97 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.646 -0.659 . . . . -10.0 109.725 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.548 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 -46.91 -35.97 7.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.939 -0.476 . . . . -10.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . -10.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . -10.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . -10.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . -10.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . -10.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . -10.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . -10.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . -10.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . -10.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . -10.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . -10.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . -10.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . -10.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 35' ' ' ARG . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . -10.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . -10.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . -10.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . -10.0 109.873 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . -10.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . -10.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . -10.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . -10.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . -10.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . -10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . -10.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 43' ' ' ILE . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . -10.0 108.671 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . -10.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . -10.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . -10.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 137.79 51.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . -10.0 109.613 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -96.07 140.05 31.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.649 -0.657 . . . . -10.0 109.493 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.28 -129.5 2.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.8 -0.562 . . . . -10.0 109.752 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.36 -153.65 0.25 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.195 -0.94 . . . . -10.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -146.25 168.38 21.19 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.232 -0.918 . . . . -10.0 110.057 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 44.17 85.54 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.553 0.692 . . . . -10.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.62 167.37 11.13 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.579 -0.701 . . . . -10.0 110.031 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.99 -167.66 0.14 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.715 -0.616 . . . . -10.0 110.187 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.41 36.12 4.68 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.507 -0.746 . . . . -10.0 110.388 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -163.15 131.67 3.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.416 -0.802 . . . . 0.0 109.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.5 m95 57.12 62.47 2.2 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.807 -0.558 . . . . 0.0 109.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 110.518 -1.033 . . . . -10.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.9 155.16 0.81 Allowed Glycine 0 N--CA 1.498 2.773 0 N-CA-C 109.372 -1.491 . . . . -10.0 109.372 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 104.63 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.791 -0.829 . . . . -10.0 109.773 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -65.24 120.06 12.03 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.804 -1.185 . . . . -10.0 111.858 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 153.99 1.8 Allowed 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.576 -0.702 . . . . -10.0 110.791 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 17.1 tptp -165.71 161.43 18.11 Favored 'General case' 0 N--CA 1.517 2.88 0 O-C-N 121.041 -1.037 . . . . -10.0 111.239 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 -166.47 2.28 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.45 -0.781 . . . . -10.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -167.25 174.56 8.03 Favored 'General case' 0 N--CA 1.517 2.89 0 O-C-N 120.802 -1.186 . . . . -10.0 112.483 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -119.14 -173.19 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 O-C-N 121.799 -0.563 . . . . -10.0 110.032 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 10' ' ' VAL . 1.5 p -134.79 173.3 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.675 0 O-C-N 121.049 -1.032 . . . . -10.0 110.593 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' VAL . . . -134.21 -164.07 10.5 Favored Glycine 0 N--CA 1.514 3.863 0 O-C-N 121.298 -0.876 . . . . -10.0 111.661 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -152.56 113.65 2.81 Favored Pre-proline 0 N--CA 1.514 2.747 0 O-C-N 121.424 -1.045 . . . . -10.0 111.686 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -87.51 97.83 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 123.308 2.672 . . . . -10.0 111.105 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.52 -50.43 5.62 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.986 -1.071 . . . . -10.0 113.222 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 p -56.75 -20.6 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.789 0 N-CA-C 113.847 1.055 . . . . -10.0 113.847 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -35.64 4.02 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.191 -0.943 . . . . -10.0 112.721 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . -10.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . -10.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . -10.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . -10.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . -10.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . -10.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . -10.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . -10.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . -10.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . -10.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . -10.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . -10.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . -10.0 110.101 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' GLY . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . -10.0 109.043 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . -10.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . -10.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . -10.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . -10.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . -10.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . -10.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . -10.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . -10.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . -10.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . -10.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . -10.0 108.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . -10.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . -10.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . -10.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.45 157.53 46.56 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . -10.0 110.257 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -136.12 117.05 14.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.661 -0.65 . . . . -10.0 109.562 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.32 -145.86 0.44 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.975 -0.453 . . . . -10.0 111.25 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.89 128.07 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.793 0.806 . . . . -10.0 111.64 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -131.34 -111.58 0.25 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.575 -0.703 . . . . -10.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 166.24 33.34 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 120.724 -1.235 . . . . -10.0 110.226 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.65 -122.5 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.568 0 O-C-N 121.15 -0.969 . . . . -10.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.88 148.2 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.141 -0.975 . . . . -10.0 112.088 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -178.53 128.67 0.12 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.463 -0.773 . . . . -10.0 110.425 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' CYS . . . 171.61 172.56 0.09 Allowed 'General case' 0 N--CA 1.517 2.888 0 O-C-N 121.725 -0.609 . . . . 0.0 109.693 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' A' ' 58' ' ' NH2 . 1.5 p90 52.64 -178.39 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.417 -0.802 . . . . 0.0 111.798 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' NH2 . . . . . 0.47 ' N ' ' CD1' ' A' ' 57' ' ' TRP . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.439 -2.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.548 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 120.76 0.314 . . . . -10.0 110.678 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . -10.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . -10.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . -10.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . -10.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . -10.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . -10.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . -10.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . -10.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . -10.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . -10.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . -10.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . -10.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . -10.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 35' ' ' ARG . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . -10.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . -10.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . -10.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . -10.0 109.873 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . -10.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . -10.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . -10.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . -10.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . -10.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . -10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . -10.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 43' ' ' ILE . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . -10.0 108.671 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . -10.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . -10.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . -10.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . -10.0 109.613 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 112.721 0.637 . . . . -10.0 112.721 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . -10.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . -10.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . -10.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . -10.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . -10.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . -10.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . -10.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . -10.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . -10.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . -10.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . -10.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . -10.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . -10.0 110.101 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' GLY . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . -10.0 109.043 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . -10.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . -10.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . -10.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . -10.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . -10.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . -10.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . -10.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . -10.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . -10.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . -10.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . -10.0 108.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . -10.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . -10.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . -10.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . -10.0 110.257 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.87 0 N-CA-C 110.47 -1.052 . . . . -10.0 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.73 -142.63 47.13 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.334 -1.106 . . . . -10.0 110.334 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.51 36.1 9.56 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.844 -0.798 . . . . -10.0 110.509 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -96.26 170.82 8.98 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.326 -0.859 . . . . -10.0 110.226 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.18 86.3 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 CA-C-O 121.572 0.701 . . . . -10.0 110.96 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -155.17 141.46 18.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.472 -0.767 . . . . -10.0 109.531 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 165.92 34.7 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.39 -0.819 . . . . -10.0 110.34 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -122.17 -179.6 4.22 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.581 -0.699 . . . . -10.0 109.89 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.2 p -155.51 172.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.296 -0.878 . . . . -10.0 110.317 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 58.08 154.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 122.194 0.997 . . . . -10.0 112.184 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.95 178.75 32.34 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 109.934 -1.266 . . . . -10.0 109.934 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.42 81.03 2.57 Favored Pre-proline 0 N--CA 1.501 2.075 0 O-C-N 121.438 -1.036 . . . . -10.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -80.66 45.22 1.93 Allowed 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 123.028 2.485 . . . . -10.0 111.293 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.155 -0.966 . . . . -10.0 109.83 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' HB3' ' A' ' 20' ' ' MET . 45.8 t -57.89 -31.97 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.646 -0.659 . . . . -10.0 109.725 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.548 ' HA ' ' HG2' ' A' ' 20' ' ' MET . 1.5 ttp85 -46.91 -35.97 7.07 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.939 -0.476 . . . . -10.0 110.678 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.41 -58.81 4.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.366 -0.834 . . . . -10.0 110.749 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -70.1 -32.95 71.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.412 -0.805 . . . . -10.0 111.174 -179.042 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.25 -16.89 61.93 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.232 -0.918 . . . . -10.0 110.538 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -45.18 -61.44 1.64 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.593 -0.692 . . . . -10.0 110.506 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -87.45 -76.13 0.38 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.281 -0.887 . . . . -10.0 109.415 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . 155.77 -84.36 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 109.243 -0.651 . . . . -10.0 109.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.77 112.44 0.12 Allowed Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 108.914 -0.773 . . . . -10.0 108.914 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -75.72 98.03 1.15 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.407 2.071 . . . . -10.0 110.868 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.86 150.06 52.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.728 -0.608 . . . . -10.0 109.63 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.3 110.93 21.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.422 -0.799 . . . . -10.0 109.939 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 47.03 71.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.498 0.666 . . . . -10.0 110.528 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.51 -134.61 5.8 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.855 -1.298 . . . . -10.0 109.855 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.15 122.22 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.557 -0.967 . . . . -10.0 109.746 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.54 -50.69 4.14 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.689 -1.365 . . . . -10.0 109.689 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 35' ' ' ARG . . . -146.76 -174.93 4.61 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.676 -0.897 . . . . -10.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.14 -79.78 0.1 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.333 -0.854 . . . . -10.0 108.926 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.6 p -87.89 -77.52 0.35 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.205 -0.935 . . . . -10.0 108.956 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 7.6 mtm180 -100.32 -98.68 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.364 -0.835 . . . . -10.0 109.873 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.66 -62.71 1.17 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . -10.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -35.01 76.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.927 -0.483 . . . . -10.0 111.722 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -38.1 15.06 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.565 -0.709 . . . . -10.0 110.857 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -54.86 -53.55 53.97 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . -10.0 109.77 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -79.41 -37.95 35.96 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . -10.0 109.824 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.86 62.17 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.791 -0.923 . . . . -10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 60.7 1.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.339 -1.095 . . . . -10.0 109.789 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 43' ' ' ILE . 17.9 mm -145.05 110.2 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.671 -0.863 . . . . -10.0 108.671 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 m -117.55 106.2 12.88 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.5 -0.75 . . . . -10.0 109.682 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.4 t -131.6 108.81 9.78 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.926 -0.768 . . . . -10.0 108.926 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -129.44 111.27 12.62 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.596 -0.69 . . . . -10.0 109.659 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.06 137.79 51.8 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.614 -0.679 . . . . -10.0 109.613 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 p -96.07 140.05 31.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.649 -0.657 . . . . -10.0 109.493 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.28 -129.5 2.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.8 -0.562 . . . . -10.0 109.752 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.36 -153.65 0.25 Allowed 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.195 -0.94 . . . . -10.0 110.429 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -146.25 168.38 21.19 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.232 -0.918 . . . . -10.0 110.057 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 44.17 85.54 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 CA-C-O 121.553 0.692 . . . . -10.0 110.871 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.62 167.37 11.13 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.579 -0.701 . . . . -10.0 110.031 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 57.99 -167.66 0.14 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.715 -0.616 . . . . -10.0 110.187 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.41 36.12 4.68 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.507 -0.746 . . . . -10.0 110.388 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -163.15 131.67 3.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.416 -0.802 . . . . 0.0 109.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.5 m95 57.12 62.47 2.2 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.807 -0.558 . . . . 0.0 109.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.502 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 110.518 -1.033 . . . . -10.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.9 155.16 0.81 Allowed Glycine 0 N--CA 1.498 2.773 0 N-CA-C 109.372 -1.491 . . . . -10.0 109.372 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 104.63 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.791 -0.829 . . . . -10.0 109.773 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -65.24 120.06 12.03 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.804 -1.185 . . . . -10.0 111.858 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 153.99 1.8 Allowed 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.576 -0.702 . . . . -10.0 110.791 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 17.1 tptp -165.71 161.43 18.11 Favored 'General case' 0 N--CA 1.517 2.88 0 O-C-N 121.041 -1.037 . . . . -10.0 111.239 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.64 -166.47 2.28 Favored 'General case' 0 N--CA 1.514 2.773 0 O-C-N 121.45 -0.781 . . . . -10.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -167.25 174.56 8.03 Favored 'General case' 0 N--CA 1.517 2.89 0 O-C-N 120.802 -1.186 . . . . -10.0 112.483 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -119.14 -173.19 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.72 0 O-C-N 121.799 -0.563 . . . . -10.0 110.032 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 10' ' ' VAL . 1.5 p -134.79 173.3 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.675 0 O-C-N 121.049 -1.032 . . . . -10.0 110.593 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' VAL . . . -134.21 -164.07 10.5 Favored Glycine 0 N--CA 1.514 3.863 0 O-C-N 121.298 -0.876 . . . . -10.0 111.661 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -152.56 113.65 2.81 Favored Pre-proline 0 N--CA 1.514 2.747 0 O-C-N 121.424 -1.045 . . . . -10.0 111.686 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -87.51 97.83 0.45 Allowed 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 123.308 2.672 . . . . -10.0 111.105 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.52 -50.43 5.62 Favored 'General case' 0 N--CA 1.509 2.486 0 O-C-N 120.986 -1.071 . . . . -10.0 113.222 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 p -56.75 -20.6 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.789 0 N-CA-C 113.847 1.055 . . . . -10.0 113.847 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -35.64 4.02 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.191 -0.943 . . . . -10.0 112.721 -178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -70.47 0.09 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.099 -1.001 . . . . -10.0 113.151 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -17.8 61.91 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.123 -0.986 . . . . -10.0 111.98 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.18 -34.69 46.35 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.456 -0.777 . . . . -10.0 111.997 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -36.91 49.09 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.348 -0.845 . . . . -10.0 111.929 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.93 -52.37 56.74 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.414 -0.804 . . . . -10.0 111.234 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.57 -170.89 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.729 -0.607 . . . . -10.0 110.623 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -101.93 128.75 27.95 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.184 -0.947 . . . . -10.0 110.041 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -79.54 -43.7 0.13 Allowed 'Trans proline' 0 C--N 1.321 -0.908 0 C-N-CA 122.692 2.261 . . . . -10.0 111.01 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.42 51.95 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.775 -0.578 . . . . -10.0 110.381 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.9 -156.0 0.71 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.468 -0.567 . . . . -10.0 109.468 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 46.96 55.33 8.08 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.386 0.612 . . . . -10.0 110.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.55 -138.02 3.74 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.562 -1.415 . . . . -10.0 109.562 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.19 131.18 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.539 -0.977 . . . . -10.0 109.908 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . . . -148.78 29.29 1.28 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 110.101 -1.199 . . . . -10.0 110.101 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' GLY . . . 168.35 135.89 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.749 -0.853 . . . . -10.0 109.043 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . . . -79.72 -63.14 1.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.341 -0.849 . . . . -10.0 109.778 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -85.44 -89.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.231 -0.918 . . . . -10.0 109.965 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 mtm105 -108.26 -91.89 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.103 -0.998 . . . . -10.0 110.643 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.29 -58.8 1.96 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.535 0.683 . . . . -10.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.63 -38.79 21.91 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 112.692 0.627 . . . . -10.0 112.692 -177.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.14 -40.55 33.1 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.332 -0.855 . . . . -10.0 110.917 -178.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -58.64 -50.63 73.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.511 -0.743 . . . . -10.0 110.223 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -77.9 -36.3 49.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -0.787 . . . . -10.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.39 -26.29 29.5 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 111.343 -0.703 . . . . -10.0 111.343 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.14 56.7 1.3 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.351 -1.088 . . . . -10.0 110.118 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -145.97 101.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.297 -0.877 . . . . -10.0 108.924 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.6 m -129.54 109.64 11.19 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 108.896 -0.779 . . . . -10.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.74 130.91 46.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . -10.0 110.189 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -160.78 78.66 0.62 Allowed 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.864 -0.791 . . . . -10.0 108.864 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.45 157.53 46.56 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.496 -0.753 . . . . -10.0 110.257 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 p -136.12 117.05 14.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.661 -0.65 . . . . -10.0 109.562 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.32 -145.86 0.44 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.975 -0.453 . . . . -10.0 111.25 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.89 128.07 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 121.793 0.806 . . . . -10.0 111.64 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -131.34 -111.58 0.25 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.575 -0.703 . . . . -10.0 110.36 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 166.24 33.34 Favored 'General case' 0 N--CA 1.51 2.574 0 O-C-N 120.724 -1.235 . . . . -10.0 110.226 -178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.65 -122.5 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.568 0 O-C-N 121.15 -0.969 . . . . -10.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.88 148.2 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.621 0 O-C-N 121.141 -0.975 . . . . -10.0 112.088 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -178.53 128.67 0.12 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 121.463 -0.773 . . . . -10.0 110.425 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' CYS . . . 171.61 172.56 0.09 Allowed 'General case' 0 N--CA 1.517 2.888 0 O-C-N 121.725 -0.609 . . . . 0.0 109.693 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' A' ' 58' ' ' NH2 . 1.5 p90 52.64 -178.39 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.576 0 O-C-N 121.417 -0.802 . . . . 0.0 111.798 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' NH2 . . . . . 0.47 ' N ' ' CD1' ' A' ' 57' ' ' TRP . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.439 -2.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_