data_1a1u_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 1a1u _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.439 -1.018 0 CA-C-O 124.439 2.066 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -73.06 -75.29 0.15 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.145 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -166.15 154.44 10.74 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.413 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.644 ' HG1' ' HG1' ' C' ' 29' ' ' THR . 1.2 t -166.34 144.22 5.38 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -95.49 101.75 13.49 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.23 160.85 32.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.493 -2.139 . . . . 0.0 109.745 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.69 -70.56 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 112.42 -2.173 . . . . 0.0 111.103 -173.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 88.84 92.44 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 O-C-N 125.535 1.772 . . . . 0.0 112.246 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.43 143.43 6.83 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 108.089 -2.004 . . . . 0.0 108.089 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' CZ ' ' C' ' 28' ' ' PHE . 0.0 OUTLIER -61.04 -60.33 3.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.465 1.126 . . . . 0.0 110.929 -171.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.59 -31.65 2.95 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 111.667 -2.515 . . . . 0.0 112.656 170.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -43.51 94.02 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 117.198 -1.801 . . . . 0.0 111.464 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.48 -43.98 88.55 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.435 -1.306 . . . . 0.0 111.255 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.45 -48.89 71.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.845 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -47.93 -37.0 13.39 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 113.424 -1.717 . . . . 0.0 112.395 173.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.413 HG22 ' CD1' ' C' ' 30' ' ' LEU . 26.1 mm -75.48 -27.83 19.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 114.058 -1.428 . . . . 0.0 111.303 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -62.95 -42.61 99.87 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.456 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.34 -36.73 79.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 123.286 1.517 . . . . 0.0 110.195 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD2' ' CD1' ' C' ' 48' ' ' LEU 0.28 0.0 OUTLIER -57.94 -26.55 62.41 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 111.928 -2.396 . . . . 0.0 110.653 174.913 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.43 -30.98 57.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.145 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -45.13 95.69 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.34 1.543 . . . . 0.0 110.094 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.33 -34.88 61.98 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.123 -2.308 . . . . 0.0 113.056 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' CD1' ' CD2' ' C' ' 44' ' ' TYR . 0.6 OUTLIER -57.77 -44.94 86.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.043 1.401 . . . . 0.0 110.003 175.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.38 -36.64 66.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.721 -176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -44.88 -50.78 10.2 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.866 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' C' ' 50' ' ' LEU . 11.6 tmtt? -62.61 -44.88 95.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.214 1.006 . . . . 0.0 112.974 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.73 -17.77 64.85 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 113.604 -1.635 . . . . 0.0 111.24 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -87.3 0.14 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.514 -1.675 . . . . 0.0 111.494 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.978 -178.506 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 124.295 1.998 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.66 -75.64 0.16 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 111.297 -2.683 . . . . 0.0 108.859 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 6.2 m-85 -164.87 150.84 10.12 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -171.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' THR . . . . . 0.644 ' HG1' ' HG1' ' A' ' 29' ' ' THR . 1.2 t -164.2 143.61 7.67 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -94.13 101.93 13.95 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 161.55 30.87 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.767 176.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.13 -69.67 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 111.96 -2.382 . . . . 0.0 110.734 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 88.15 94.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 O-C-N 125.418 1.699 . . . . 0.0 111.692 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.87 145.32 7.9 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -62.04 2.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.445 1.117 . . . . 0.0 111.071 -173.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.61 -31.24 2.71 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 111.925 -2.398 . . . . 0.0 112.547 172.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -45.36 87.14 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 117.503 -1.679 . . . . 0.0 111.699 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.34 -44.04 92.73 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 118.056 -1.458 . . . . 0.0 111.542 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.98 -49.05 69.66 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 110.957 -2.838 . . . . 0.0 110.777 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -48.14 -36.59 13.72 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.246 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 30' ' ' LEU . 25.6 mm -75.3 -26.99 19.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.424 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -63.9 -42.94 97.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.4 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.33 -36.29 79.07 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.325 1.536 . . . . 0.0 110.307 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' TYR . . . . . 0.427 ' CD2' ' CD1' ' A' ' 48' ' ' LEU 0.281 0.0 OUTLIER -58.03 -27.49 63.6 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.772 -2.467 . . . . 0.0 110.514 174.573 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -75.78 -30.57 59.16 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.577 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.82 -44.33 97.05 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.442 1.591 . . . . 0.0 110.238 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.15 66.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 111.859 -2.428 . . . . 0.0 113.057 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.407 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -57.83 -43.17 85.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.986 1.374 . . . . 0.0 109.773 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -38.9 70.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.31 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 51' ' ' LYS . 2.3 tt -43.66 -51.87 6.77 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.011 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -61.75 -43.9 97.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.109 0.956 . . . . 0.0 113.1 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.57 -19.57 65.98 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.123 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.72 -86.22 0.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.686 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.766 -178.695 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.439 -1.018 0 CA-C-O 124.439 2.066 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -73.06 -75.29 0.15 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.145 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -166.15 154.44 10.74 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.413 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -166.34 144.22 5.38 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -95.49 101.75 13.49 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.23 160.85 32.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.493 -2.139 . . . . 0.0 109.745 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -126.69 -70.56 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 112.42 -2.173 . . . . 0.0 111.103 -173.462 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 88.84 92.44 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 O-C-N 125.535 1.772 . . . . 0.0 112.246 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . 120.43 143.43 6.83 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 108.089 -2.004 . . . . 0.0 108.089 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -60.33 3.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.465 1.126 . . . . 0.0 110.929 -171.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.59 -31.65 2.95 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 111.667 -2.515 . . . . 0.0 112.656 170.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HB3' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -64.46 -43.51 94.02 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 117.198 -1.801 . . . . 0.0 111.464 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.48 -43.98 88.55 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.435 -1.306 . . . . 0.0 111.255 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.45 -48.89 71.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.845 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -47.93 -37.0 13.39 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 113.424 -1.717 . . . . 0.0 112.395 173.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG13 HD12 ' A' ' 32' ' ' ILE . 26.1 mm -75.48 -27.83 19.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 114.058 -1.428 . . . . 0.0 111.303 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -62.95 -42.61 99.87 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.456 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.34 -36.73 79.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 123.286 1.517 . . . . 0.0 110.195 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' C' ' 48' ' ' LEU 0.28 0.0 OUTLIER -57.94 -26.55 62.41 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 111.928 -2.396 . . . . 0.0 110.653 174.913 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.43 -30.98 57.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.145 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -45.13 95.69 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.34 1.543 . . . . 0.0 110.094 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' C' ' 51' ' ' LYS . . . -54.33 -34.88 61.98 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.123 -2.308 . . . . 0.0 113.056 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' C' ' 44' ' ' TYR . 0.6 OUTLIER -57.77 -44.94 86.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.043 1.401 . . . . 0.0 110.003 175.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.38 -36.64 66.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.721 -176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.829 HD22 HD22 ' C' ' 50' ' ' LEU . 2.2 tt -44.88 -50.78 10.2 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.866 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' ' HB1' ' C' ' 47' ' ' ALA . 11.6 tmtt? -62.61 -44.88 95.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.214 1.006 . . . . 0.0 112.974 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.73 -17.77 64.85 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 113.604 -1.635 . . . . 0.0 111.24 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -87.3 0.14 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.514 -1.675 . . . . 0.0 111.494 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.978 -178.506 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 124.295 1.998 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.66 -75.64 0.16 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 111.297 -2.683 . . . . 0.0 108.859 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -164.87 150.84 10.12 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -164.2 143.61 7.67 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -94.13 101.93 13.95 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 161.55 30.87 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.767 176.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.553 HD12 HG13 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -128.13 -69.67 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 111.96 -2.382 . . . . 0.0 110.734 -173.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 88.15 94.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 O-C-N 125.418 1.699 . . . . 0.0 111.692 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.87 145.32 7.9 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -62.04 2.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.445 1.117 . . . . 0.0 111.071 -173.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.61 -31.24 2.71 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 111.925 -2.398 . . . . 0.0 112.547 172.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ARG . . . . . 0.401 ' HB3' HG22 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -64.63 -45.36 87.14 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 117.503 -1.679 . . . . 0.0 111.699 178.332 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.34 -44.04 92.73 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 118.056 -1.458 . . . . 0.0 111.542 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.98 -49.05 69.66 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 110.957 -2.838 . . . . 0.0 110.777 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -48.14 -36.59 13.72 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.246 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.553 HG13 HD12 ' C' ' 32' ' ' ILE . 25.6 mm -75.3 -26.99 19.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.424 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -63.9 -42.94 97.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.4 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.33 -36.29 79.07 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.325 1.536 . . . . 0.0 110.307 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' TYR . . . . . 0.511 ' CD2' HD11 ' A' ' 48' ' ' LEU 0.281 0.0 OUTLIER -58.03 -27.49 63.6 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.772 -2.467 . . . . 0.0 110.514 174.573 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -75.78 -30.57 59.16 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.577 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.82 -44.33 97.05 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.442 1.591 . . . . 0.0 110.238 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 51' ' ' LYS . . . -55.8 -35.15 66.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 111.859 -2.428 . . . . 0.0 113.057 175.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -57.83 -43.17 85.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.986 1.374 . . . . 0.0 109.773 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -38.9 70.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.31 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -43.66 -51.87 6.77 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.011 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.9 tmtt? -61.75 -43.9 97.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.109 0.956 . . . . 0.0 113.1 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.57 -19.57 65.98 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.123 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.72 -86.22 0.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.686 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.766 -178.695 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.439 -1.018 0 CA-C-O 124.439 2.066 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -73.06 -75.29 0.15 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.145 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -166.15 154.44 10.74 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.413 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -166.34 144.22 5.38 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -95.49 101.75 13.49 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.23 160.85 32.09 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.493 -2.139 . . . . 0.0 109.745 177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD12 HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -126.69 -70.56 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 112.42 -2.173 . . . . 0.0 111.103 -173.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 88.84 92.44 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 O-C-N 125.535 1.772 . . . . 0.0 112.246 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . 120.43 143.43 6.83 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 108.089 -2.004 . . . . 0.0 108.089 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -60.33 3.95 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.465 1.126 . . . . 0.0 110.929 -171.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.59 -31.65 2.95 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 111.667 -2.515 . . . . 0.0 112.656 170.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' HB3' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -64.46 -43.51 94.02 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 117.198 -1.801 . . . . 0.0 111.464 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.48 -43.98 88.55 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.435 -1.306 . . . . 0.0 111.255 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.45 -48.89 71.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 111.076 -2.784 . . . . 0.0 110.845 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -47.93 -37.0 13.39 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 113.424 -1.717 . . . . 0.0 112.395 173.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG13 HD12 ' A' ' 32' ' ' ILE . 26.1 mm -75.48 -27.83 19.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 CA-C-N 114.058 -1.428 . . . . 0.0 111.303 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -62.95 -42.61 99.87 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.456 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.34 -36.73 79.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 123.286 1.517 . . . . 0.0 110.195 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' C' ' 48' ' ' LEU 0.28 0.0 OUTLIER -57.94 -26.55 62.41 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 111.928 -2.396 . . . . 0.0 110.653 174.913 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -76.43 -30.98 57.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.145 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.83 -45.13 95.69 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 123.34 1.543 . . . . 0.0 110.094 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' C' ' 51' ' ' LYS . . . -54.33 -34.88 61.98 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.123 -2.308 . . . . 0.0 113.056 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' C' ' 44' ' ' TYR . 0.6 OUTLIER -57.77 -44.94 86.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.043 1.401 . . . . 0.0 110.003 175.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.38 -36.64 66.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 113.334 -1.757 . . . . 0.0 110.721 -176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.829 HD22 HD22 ' C' ' 50' ' ' LEU . 2.2 tt -44.88 -50.78 10.2 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.866 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' ' HB1' ' C' ' 47' ' ' ALA . 11.6 tmtt? -62.61 -44.88 95.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.214 1.006 . . . . 0.0 112.974 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.73 -17.77 64.85 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 113.604 -1.635 . . . . 0.0 111.24 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -87.3 0.14 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.514 -1.675 . . . . 0.0 111.494 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.978 -178.506 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 124.295 1.998 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -74.66 -75.64 0.16 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 111.297 -2.683 . . . . 0.0 108.859 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -164.87 150.84 10.12 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -164.2 143.61 7.67 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -94.13 101.93 13.95 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 161.55 30.87 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.767 176.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.553 HD12 HG13 ' C' ' 41' ' ' ILE . 0.0 OUTLIER -128.13 -69.67 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 111.96 -2.382 . . . . 0.0 110.734 -173.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 88.15 94.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 O-C-N 125.418 1.699 . . . . 0.0 111.692 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.87 145.32 7.9 Favored Glycine 0 C--N 1.348 1.199 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -62.04 2.07 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.445 1.117 . . . . 0.0 111.071 -173.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.61 -31.24 2.71 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 111.925 -2.398 . . . . 0.0 112.547 172.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . 0.401 ' HB3' HG22 ' C' ' 32' ' ' ILE . 0.4 OUTLIER -64.63 -45.36 87.14 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 117.503 -1.679 . . . . 0.0 111.699 178.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.34 -44.04 92.73 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 118.056 -1.458 . . . . 0.0 111.542 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.98 -49.05 69.66 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 110.957 -2.838 . . . . 0.0 110.777 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -48.14 -36.59 13.72 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.246 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.553 HG13 HD12 ' C' ' 32' ' ' ILE . 25.6 mm -75.3 -26.99 19.04 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 114.141 -1.39 . . . . 0.0 111.424 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -63.9 -42.94 97.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.4 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.33 -36.29 79.07 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.325 1.536 . . . . 0.0 110.307 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' TYR . . . . . 0.511 ' CD2' HD11 ' A' ' 48' ' ' LEU 0.281 0.0 OUTLIER -58.03 -27.49 63.6 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.772 -2.467 . . . . 0.0 110.514 174.573 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -75.78 -30.57 59.16 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 118.172 -1.411 . . . . 0.0 109.577 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.82 -44.33 97.05 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.442 1.591 . . . . 0.0 110.238 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 51' ' ' LYS . . . -55.8 -35.15 66.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 111.859 -2.428 . . . . 0.0 113.057 175.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -57.83 -43.17 85.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.986 1.374 . . . . 0.0 109.773 175.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -38.9 70.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.31 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . 0.829 HD22 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -43.66 -51.87 6.77 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.011 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LYS . . . . . 0.48 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.9 tmtt? -61.75 -43.9 97.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.109 0.956 . . . . 0.0 113.1 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.57 -19.57 65.98 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.123 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.72 -86.22 0.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.686 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 118.347 -1.341 . . . . 0.0 108.766 -178.695 . . . . . . . . 0 0 . 1 stop_ save_