data_1qq3_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 1qq3 _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 full ' A' A ' 1' ' ' ALA . . . . . 1.09 ' CB ' ' OD2' ' A' ' 39' ' ' ASP 0.508 . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 116.765 -1.588 . . . . 0.0 107.491 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.83 130.36 29.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.39 -39.08 82.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 126.883 2.073 . . . . 0.0 111.473 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.41 -39.84 94.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 120.317 1.417 . . . . 0.0 109.054 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -37.87 86.46 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.273 0.629 . . . . 0.0 110.423 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.47 -41.45 93.35 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 120.306 -1.496 . . . . 0.0 107.923 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.0 mmt -68.77 -47.5 66.04 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 126.837 2.055 . . . . 0.0 110.696 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.34 -41.67 94.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.478 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 m -65.69 -38.59 89.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.587 -1.197 . . . . 0.0 108.827 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 mt -65.57 -38.7 90.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 116.159 -2.217 . . . . 0.0 108.039 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -69.46 -37.93 77.54 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.026 0.53 . . . . 0.0 111.325 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.28 77.78 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -67.24 -38.21 84.81 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.482 -0.771 . . . . 0.0 111.213 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.74 -35.98 82.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.929 1.24 . . . . 0.0 108.956 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -63.26 -51.75 64.89 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.796 0.838 . . . . 0.0 109.579 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.33 -42.88 75.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.994 -0.526 . . . . 0.0 109.933 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.49 -47.74 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.739 0.816 . . . . 0.0 109.653 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.5 -35.01 74.91 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.568 0.699 . . . . 0.0 109.883 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.7 -2.65 55.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.3 1.04 . . . . 0.0 112.816 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.13 165.74 17.54 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 122.173 0.987 . . . . 0.0 111.422 -167.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.59 -39.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.451 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.05 155.22 19.62 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.119 -0.988 . . . . 0.0 110.014 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.0 71.71 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.9 71.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.822 -0.608 . . . . 0.0 112.328 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -71.68 -44.29 64.5 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.265 0.939 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.1 t -58.34 -46.66 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 CA-C-O 121.797 0.808 . . . . 0.0 109.17 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.89 -47.72 85.08 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.56 -172.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.58 -37.59 82.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.562 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.96 87.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.164 -0.335 . . . . 0.0 110.758 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -36.51 80.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.1 m -65.55 -43.1 90.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.304 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.73 -47.81 79.57 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -22.03 66.84 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 117.319 -1.753 . . . . 0.0 110.862 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -70.95 -44.02 66.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 120.437 1.471 . . . . 0.0 109.206 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.81 90.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.96 92.41 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.527 -0.733 . . . . 0.0 111.904 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.71 76.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.174 1.352 . . . . 0.0 111.919 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -45.48 87.8 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 1.09 ' OD2' ' CB ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -69.75 -32.02 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.525 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.24 67.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.671 1.188 . . . . 0.0 108.741 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.85 68.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.702 2.001 . . . . 0.0 112.683 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -121.61 5.46 10.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.86 173.77 7.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -121.25 102.3 43.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 54.2 Cg_endo -73.88 144.91 35.35 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 120.977 1.118 . . . . 0.0 110.424 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.43 -26.22 34.89 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.23 1.287 . . . . 0.0 109.323 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 104' ' ' LYS . 20.8 tptt -72.09 -29.58 64.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 111.933 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.607 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 19.6 mt -131.44 57.28 1.77 Allowed 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.06 -61.55 1.98 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -93.29 21.17 6.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.093 1.757 . . . . 0.0 114.36 -165.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.71 151.16 47.95 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 116.199 -2.2 . . . . 0.0 110.145 173.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.3 m -54.6 151.88 13.75 Favored Pre-proline 0 N--CA 1.444 -0.733 0 O-C-N 124.944 1.403 . . . . 0.0 111.629 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.81 -23.42 22.45 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 124.01 3.14 . . . . 0.0 112.631 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -122.53 39.52 3.9 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.762 0.825 . . . . 0.0 108.826 -169.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.54 162.03 34.51 Favored Pre-proline 0 C--O 1.233 0.236 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -166.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.18 20.71 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 1 C-N-CA 126.259 4.639 . . . . 0.0 112.563 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.51 -36.57 3.48 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.447 -0.783 . . . . 0.0 110.51 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -39.89 79.67 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.079 -1.013 . . . . 0.0 110.409 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -68.68 -41.87 78.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.2 -23.03 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 -174.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.91 -66.3 0.56 Allowed 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 125.512 1.525 . . . . 0.0 109.461 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -56.69 -25.67 54.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.444 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -56.94 -35.18 68.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 110.267 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.96 -47.6 47.87 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.939 1.245 . . . . 0.0 112.914 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -77.62 -20.08 54.48 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.519 1.159 . . . . 0.0 112.577 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.21 -44.58 37.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -170.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.65 -46.05 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.468 1.107 . . . . 0.0 108.746 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' CD1' ' CG2' ' A' ' 97' ' ' THR . 5.1 mp -66.77 -45.8 77.36 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -174.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.12 -37.73 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 125.31 1.444 . . . . 0.0 110.377 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.3 -45.28 31.22 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.06 -31.98 73.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.911 -0.758 . . . . 0.0 110.209 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.02 -36.78 77.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 118.559 0.618 . . . . 0.0 109.669 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.21 -44.52 88.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.875 0.761 . . . . 0.0 109.388 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.8 69.57 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.913 -0.492 . . . . 0.0 109.814 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.5 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.46 -1.4 . . . . 0.0 112.775 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.659 1.184 . . . . 0.0 108.89 168.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -54.59 -49.37 70.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.529 0.732 . . . . 0.0 109.466 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.19 -50.67 70.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.736 1.214 . . . . 0.0 109.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.09 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.58 -0.7 . . . . 0.0 110.641 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.94 -32.11 72.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.981 1.313 . . . . 0.0 112.02 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.01 -1.38 11.89 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.184 0.594 . . . . 0.0 111.876 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.86 4.36 82.38 Favored Glycine 0 CA--C 1.523 0.594 0 O-C-N 120.811 -1.18 . . . . 0.0 111.658 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -76.95 73.71 3.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 118.91 1.355 . . . . 0.0 109.656 172.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.25 -39.0 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -73.35 -45.64 53.93 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.965 -0.459 . . . . 0.0 110.086 -169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.88 -25.32 62.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.196 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.61 79.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.672 -0.643 . . . . 0.0 110.317 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -69.76 -35.97 75.39 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 121.227 -0.921 . . . . 0.0 110.412 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.42 75.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.917 -1.115 . . . . 0.0 109.561 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.21 72.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.228 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.02 -27.21 61.42 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.161 1.346 . . . . 0.0 111.75 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.4 -38.32 86.63 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 120.649 1.568 . . . . 0.0 111.78 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -68.35 -48.74 64.01 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.023 -1.048 . . . . 0.0 111.184 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.57 -43.31 93.67 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.553 ' HA ' ' SG ' ' A' ' 98' ' ' CYS . 69.8 tttt -62.67 -33.55 75.28 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.33 1.852 . . . . 0.0 113.283 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -69.34 -42.26 75.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.419 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 1.3 m -68.45 -31.1 70.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 116.958 -1.496 . . . . 0.0 111.206 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 95' ' ' LYS . 70.7 m -52.1 -56.09 16.66 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -73.97 -34.25 64.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.346 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -55.56 12.84 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -55.9 -52.9 62.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.493 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.52 -15.17 2.52 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.912 1.687 . . . . 0.0 114.314 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.92 61.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.664 1.575 . . . . 0.0 112.15 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -129.96 -40.14 1.36 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.34 -17.11 46.82 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.193 2.597 . . . . 0.0 114.164 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.09 ' CB ' ' OD2' ' A' ' 39' ' ' ASP 0.508 . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 116.765 -1.588 . . . . 0.0 107.491 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.83 130.36 29.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.39 -39.08 82.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 126.883 2.073 . . . . 0.0 111.473 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.41 -39.84 94.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 120.317 1.417 . . . . 0.0 109.054 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -37.87 86.46 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.273 0.629 . . . . 0.0 110.423 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.47 -41.45 93.35 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 120.306 -1.496 . . . . 0.0 107.923 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.429 ' HE1' ' CE1' ' A' ' 65' ' ' PHE . 13.0 mmt -68.77 -47.5 66.04 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 126.837 2.055 . . . . 0.0 110.696 -173.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.34 -41.67 94.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.478 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 m -65.69 -38.59 89.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.587 -1.197 . . . . 0.0 108.827 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 mt -65.57 -38.7 90.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 116.159 -2.217 . . . . 0.0 108.039 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -69.46 -37.93 77.54 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.026 0.53 . . . . 0.0 111.325 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.28 77.78 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -67.24 -38.21 84.81 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.482 -0.771 . . . . 0.0 111.213 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 14' ' ' LEU . 12.0 tp -64.74 -35.98 82.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.929 1.24 . . . . 0.0 108.956 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -63.26 -51.75 64.89 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.796 0.838 . . . . 0.0 109.579 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.33 -42.88 75.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.994 -0.526 . . . . 0.0 109.933 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.49 -47.74 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.739 0.816 . . . . 0.0 109.653 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.5 -35.01 74.91 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.568 0.699 . . . . 0.0 109.883 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.7 -2.65 55.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.3 1.04 . . . . 0.0 112.816 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.13 165.74 17.54 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 122.173 0.987 . . . . 0.0 111.422 -167.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.59 -39.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.451 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.05 155.22 19.62 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.119 -0.988 . . . . 0.0 110.014 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.0 71.71 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.9 71.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.822 -0.608 . . . . 0.0 112.328 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -71.68 -44.29 64.5 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.265 0.939 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG11 ' HB1' ' A' ' 87' ' ' ALA . 87.1 t -58.34 -46.66 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 CA-C-O 121.797 0.808 . . . . 0.0 109.17 175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.89 -47.72 85.08 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.56 -172.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.58 -37.59 82.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.562 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.96 87.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.164 -0.335 . . . . 0.0 110.758 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -36.51 80.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.1 m -65.55 -43.1 90.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.304 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.73 -47.81 79.57 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -22.03 66.84 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 117.319 -1.753 . . . . 0.0 110.862 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -70.95 -44.02 66.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 120.437 1.471 . . . . 0.0 109.206 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.81 90.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.96 92.41 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.527 -0.733 . . . . 0.0 111.904 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.71 76.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.174 1.352 . . . . 0.0 111.919 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -45.48 87.8 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 1.09 ' OD2' ' CB ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -69.75 -32.02 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.525 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.24 67.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.671 1.188 . . . . 0.0 108.741 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -59.73 -29.85 68.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.702 2.001 . . . . 0.0 112.683 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -121.61 5.46 10.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.86 173.77 7.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -121.25 102.3 43.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 54.2 Cg_endo -73.88 144.91 35.35 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 120.977 1.118 . . . . 0.0 110.424 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.43 -26.22 34.89 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.23 1.287 . . . . 0.0 109.323 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' A' ' 104' ' ' LYS . 20.8 tptt -72.09 -29.58 64.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 111.933 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 19.6 mt -131.44 57.28 1.77 Allowed 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.06 -61.55 1.98 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -93.29 21.17 6.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.093 1.757 . . . . 0.0 114.36 -165.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.71 151.16 47.95 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 116.199 -2.2 . . . . 0.0 110.145 173.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.3 m -54.6 151.88 13.75 Favored Pre-proline 0 N--CA 1.444 -0.733 0 O-C-N 124.944 1.403 . . . . 0.0 111.629 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.81 -23.42 22.45 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 124.01 3.14 . . . . 0.0 112.631 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -122.53 39.52 3.9 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.762 0.825 . . . . 0.0 108.826 -169.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.54 162.03 34.51 Favored Pre-proline 0 C--O 1.233 0.236 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -166.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.18 20.71 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 1 C-N-CA 126.259 4.639 . . . . 0.0 112.563 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.51 -36.57 3.48 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.447 -0.783 . . . . 0.0 110.51 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -39.89 79.67 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.079 -1.013 . . . . 0.0 110.409 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -68.68 -41.87 78.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.2 -23.03 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 -174.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.91 -66.3 0.56 Allowed 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 125.512 1.525 . . . . 0.0 109.461 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -56.69 -25.67 54.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.444 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -56.94 -35.18 68.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 110.267 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.96 -47.6 47.87 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.939 1.245 . . . . 0.0 112.914 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CZ ' HBC1 ' A' ' 107' ' ' HEB . 18.2 m-85 -77.62 -20.08 54.48 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.519 1.159 . . . . 0.0 112.577 175.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.21 -44.58 37.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -170.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.65 -46.05 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.468 1.107 . . . . 0.0 108.746 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD13 HG21 ' A' ' 97' ' ' THR . 5.1 mp -66.77 -45.8 77.36 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -174.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.12 -37.73 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 125.31 1.444 . . . . 0.0 110.377 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.3 -45.28 31.22 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.06 -31.98 73.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.911 -0.758 . . . . 0.0 110.209 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG13 HD21 ' A' ' 94' ' ' LEU . 65.4 mt -64.02 -36.78 77.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 118.559 0.618 . . . . 0.0 109.669 174.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.21 -44.52 88.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.875 0.761 . . . . 0.0 109.388 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.8 69.57 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.913 -0.492 . . . . 0.0 109.814 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.5 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.46 -1.4 . . . . 0.0 112.775 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.659 1.184 . . . . 0.0 108.89 168.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -54.59 -49.37 70.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.529 0.732 . . . . 0.0 109.466 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.19 -50.67 70.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.736 1.214 . . . . 0.0 109.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.09 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.58 -0.7 . . . . 0.0 110.641 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.94 -32.11 72.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.981 1.313 . . . . 0.0 112.02 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.01 -1.38 11.89 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.184 0.594 . . . . 0.0 111.876 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.86 4.36 82.38 Favored Glycine 0 CA--C 1.523 0.594 0 O-C-N 120.811 -1.18 . . . . 0.0 111.658 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -76.95 73.71 3.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 118.91 1.355 . . . . 0.0 109.656 172.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.25 -39.0 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -73.35 -45.64 53.93 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.965 -0.459 . . . . 0.0 110.086 -169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.88 -25.32 62.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.196 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' HG11 ' A' ' 26' ' ' VAL . . . -68.9 -37.61 79.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.672 -0.643 . . . . 0.0 110.317 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -69.76 -35.97 75.39 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 121.227 -0.921 . . . . 0.0 110.412 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.42 75.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.917 -1.115 . . . . 0.0 109.561 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -61.24 -32.21 72.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.228 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.02 -27.21 61.42 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.161 1.346 . . . . 0.0 111.75 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.4 -38.32 86.63 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 120.649 1.568 . . . . 0.0 111.78 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -68.35 -48.74 64.01 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.023 -1.048 . . . . 0.0 111.184 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.576 HD21 HG13 ' A' ' 72' ' ' ILE . 1.8 mp -59.57 -43.31 93.67 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.588 ' HA ' ' SG ' ' A' ' 98' ' ' CYS . 69.8 tttt -62.67 -33.55 75.28 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.33 1.852 . . . . 0.0 113.283 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -69.34 -42.26 75.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.645 HG21 HD13 ' A' ' 68' ' ' LEU . 1.3 m -68.45 -31.1 70.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 116.958 -1.496 . . . . 0.0 111.206 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 95' ' ' LYS . 70.7 m -52.1 -56.09 16.66 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -73.97 -34.25 64.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.346 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -55.56 12.84 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -55.9 -52.9 62.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.493 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.52 -15.17 2.52 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.912 1.687 . . . . 0.0 114.314 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.92 61.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.664 1.575 . . . . 0.0 112.15 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -129.96 -40.14 1.36 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.34 -17.11 46.82 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.193 2.597 . . . . 0.0 114.164 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HG3' ' C4D' ' A' ' 107' ' ' HEB . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 171.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HEB . . . . . 0.489 HBC1 ' CZ ' ' A' ' 65' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.09 ' CB ' ' OD2' ' A' ' 39' ' ' ASP 0.508 . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 116.765 -1.588 . . . . 0.0 107.491 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.83 130.36 29.52 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' CD2' ' HA ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.39 -39.08 82.22 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 126.883 2.073 . . . . 0.0 111.473 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.41 -39.84 94.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 120.317 1.417 . . . . 0.0 109.054 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -37.87 86.46 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 123.273 0.629 . . . . 0.0 110.423 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.47 -41.45 93.35 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 120.306 -1.496 . . . . 0.0 107.923 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.429 ' HE1' ' CE1' ' A' ' 65' ' ' PHE . 13.0 mmt -68.77 -47.5 66.04 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 126.837 2.055 . . . . 0.0 110.696 -173.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.34 -41.67 94.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.333 -0.947 . . . . 0.0 108.478 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.3 m -65.69 -38.59 89.67 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 117.587 -1.197 . . . . 0.0 108.827 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 mt -65.57 -38.7 90.32 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 116.159 -2.217 . . . . 0.0 108.039 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -69.46 -37.93 77.54 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.026 0.53 . . . . 0.0 111.325 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -49.28 77.78 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -67.24 -38.21 84.81 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.482 -0.771 . . . . 0.0 111.213 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' ' 14' ' ' LEU . 12.0 tp -64.74 -35.98 82.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.929 1.24 . . . . 0.0 108.956 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -63.26 -51.75 64.89 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 123.796 0.838 . . . . 0.0 109.579 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.33 -42.88 75.56 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-O 118.994 -0.526 . . . . 0.0 109.933 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.49 -47.74 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 123.739 0.816 . . . . 0.0 109.653 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.5 -35.01 74.91 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.568 0.699 . . . . 0.0 109.883 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.7 -2.65 55.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.3 1.04 . . . . 0.0 112.816 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.13 165.74 17.54 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 122.173 0.987 . . . . 0.0 111.422 -167.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -132.59 -39.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 112.993 -1.912 . . . . 0.0 109.451 -169.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.05 155.22 19.62 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.119 -0.988 . . . . 0.0 110.014 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.0 71.71 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.649 168.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.9 71.33 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.822 -0.608 . . . . 0.0 112.328 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -71.68 -44.29 64.5 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.265 0.939 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG11 ' HB1' ' A' ' 87' ' ' ALA . 87.1 t -58.34 -46.66 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 CA-C-O 121.797 0.808 . . . . 0.0 109.17 175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.89 -47.72 85.08 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.56 -172.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.58 -37.59 82.83 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.562 -177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.96 87.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.164 -0.335 . . . . 0.0 110.758 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -36.51 80.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.1 m -65.55 -43.1 90.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.304 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.73 -47.81 79.57 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -22.03 66.84 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 117.319 -1.753 . . . . 0.0 110.862 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -70.95 -44.02 66.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 120.437 1.471 . . . . 0.0 109.206 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.81 90.37 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.96 92.41 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.527 -0.733 . . . . 0.0 111.904 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.71 76.67 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.174 1.352 . . . . 0.0 111.919 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -45.48 87.8 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 1.09 ' OD2' ' CB ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -69.75 -32.02 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.525 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.24 67.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.671 1.188 . . . . 0.0 108.741 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.85 68.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.702 2.001 . . . . 0.0 112.683 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -121.61 5.46 10.06 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.86 173.77 7.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -121.25 102.3 43.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 3' ' ' LEU . 54.2 Cg_endo -73.88 144.91 35.35 Favored 'Trans proline' 0 N--CA 1.445 -1.352 0 C-N-CA 120.977 1.118 . . . . 0.0 110.424 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.43 -26.22 34.89 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 121.23 1.287 . . . . 0.0 109.323 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' A' ' 104' ' ' LYS . 20.8 tptt -72.09 -29.58 64.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 111.933 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 19.6 mt -131.44 57.28 1.77 Allowed 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.06 -61.55 1.98 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -93.29 21.17 6.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.093 1.757 . . . . 0.0 114.36 -165.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.71 151.16 47.95 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 116.199 -2.2 . . . . 0.0 110.145 173.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.3 m -54.6 151.88 13.75 Favored Pre-proline 0 N--CA 1.444 -0.733 0 O-C-N 124.944 1.403 . . . . 0.0 111.629 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.81 -23.42 22.45 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 124.01 3.14 . . . . 0.0 112.631 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -122.53 39.52 3.9 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.762 0.825 . . . . 0.0 108.826 -169.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.54 162.03 34.51 Favored Pre-proline 0 C--O 1.233 0.236 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -166.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.18 20.71 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 1 C-N-CA 126.259 4.639 . . . . 0.0 112.563 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.51 -36.57 3.48 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.447 -0.783 . . . . 0.0 110.51 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -39.89 79.67 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.079 -1.013 . . . . 0.0 110.409 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -68.68 -41.87 78.63 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.724 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.2 -23.03 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 -174.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -60.91 -66.3 0.56 Allowed 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 125.512 1.525 . . . . 0.0 109.461 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -56.69 -25.67 54.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.47 -1.252 . . . . 0.0 111.444 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -56.94 -35.18 68.79 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 110.267 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.96 -47.6 47.87 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.939 1.245 . . . . 0.0 112.914 172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CZ ' HBC1 ' A' ' 107' ' ' HEB . 18.2 m-85 -77.62 -20.08 54.48 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 118.519 1.159 . . . . 0.0 112.577 175.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.21 -44.58 37.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -170.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mt -50.65 -46.05 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.468 1.107 . . . . 0.0 108.746 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD13 HG21 ' A' ' 97' ' ' THR . 5.1 mp -66.77 -45.8 77.36 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -174.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.12 -37.73 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 125.31 1.444 . . . . 0.0 110.377 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.3 -45.28 31.22 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.06 -31.98 73.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 121.911 -0.758 . . . . 0.0 110.209 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG13 HD21 ' A' ' 94' ' ' LEU . 65.4 mt -64.02 -36.78 77.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 118.559 0.618 . . . . 0.0 109.669 174.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.21 -44.52 88.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.875 0.761 . . . . 0.0 109.388 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.8 69.57 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.913 -0.492 . . . . 0.0 109.814 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.5 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.46 -1.4 . . . . 0.0 112.775 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.659 1.184 . . . . 0.0 108.89 168.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -54.59 -49.37 70.56 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.529 0.732 . . . . 0.0 109.466 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.19 -50.67 70.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.736 1.214 . . . . 0.0 109.23 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.09 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.58 -0.7 . . . . 0.0 110.641 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.94 -32.11 72.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.981 1.313 . . . . 0.0 112.02 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.01 -1.38 11.89 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.184 0.594 . . . . 0.0 111.876 170.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.86 4.36 82.38 Favored Glycine 0 CA--C 1.523 0.594 0 O-C-N 120.811 -1.18 . . . . 0.0 111.658 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -76.95 73.71 3.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 118.91 1.355 . . . . 0.0 109.656 172.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.25 -39.0 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -73.35 -45.64 53.93 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.965 -0.459 . . . . 0.0 110.086 -169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -70.88 -25.32 62.75 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.196 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' HB1' HG11 ' A' ' 26' ' ' VAL . . . -68.9 -37.61 79.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 121.672 -0.643 . . . . 0.0 110.317 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -69.76 -35.97 75.39 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 121.227 -0.921 . . . . 0.0 110.412 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.42 75.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.917 -1.115 . . . . 0.0 109.561 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -61.24 -32.21 72.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.228 172.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.02 -27.21 61.42 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.161 1.346 . . . . 0.0 111.75 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.4 -38.32 86.63 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 120.649 1.568 . . . . 0.0 111.78 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -68.35 -48.74 64.01 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.023 -1.048 . . . . 0.0 111.184 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.576 HD21 HG13 ' A' ' 72' ' ' ILE . 1.8 mp -59.57 -43.31 93.67 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.588 ' HA ' ' SG ' ' A' ' 98' ' ' CYS . 69.8 tttt -62.67 -33.55 75.28 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.33 1.852 . . . . 0.0 113.283 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -69.34 -42.26 75.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.645 HG21 HD13 ' A' ' 68' ' ' LEU . 1.3 m -68.45 -31.1 70.17 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 116.958 -1.496 . . . . 0.0 111.206 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 95' ' ' LYS . 70.7 m -52.1 -56.09 16.66 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -73.97 -34.25 64.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.346 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.62 -55.56 12.84 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -55.9 -52.9 62.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.493 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.52 -15.17 2.52 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.912 1.687 . . . . 0.0 114.314 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -16.92 61.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.664 1.575 . . . . 0.0 112.15 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -129.96 -40.14 1.36 Allowed 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 174.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.34 -17.11 46.82 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.193 2.597 . . . . 0.0 114.164 -170.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HG3' ' C4D' ' A' ' 107' ' ' HEB . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 171.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HEB . . . . . 0.489 HBC1 ' CZ ' ' A' ' 65' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_