data_5hir_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 5hir _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 109.183 -0.673 . . . . 3.71 109.183 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.79 119.01 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 119.583 -0.847 . . . . 2.13 109.998 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.6 -122.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.267 -0.973 . . . . 1.34 110.313 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -150.31 178.49 8.97 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.238 -0.985 . . . . 1.78 110.225 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.36 126.01 30.17 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.456 -0.897 . . . . 1.21 110.081 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.55 167.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.72 -0.792 . . . . 0.84 110.783 -179.636 -37.175 -78.162 89.43 103.915 2.019 104.07 102.727 64.625 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -156.13 2.79 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.809 -0.757 . . . . 1.27 109.652 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -156.93 136.95 12.63 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.68 -0.808 . . . . 1.81 110.04 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 134.07 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.581 -0.847 . . . . 0.87 110.722 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 1.0 24.32 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 119.981 -1.104 . . . . 1.0 111.098 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 28.4 mt-30 -82.69 -176.84 6.48 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.16 -1.016 . . . . 1.75 110.169 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 34.2 m-20 -148.98 -60.15 0.22 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 119.008 -1.077 . . . . 2.06 111.31 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.71 56.52 1.88 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.297 -0.961 . . . . 1.4 110.808 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.74 173.0 11.92 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.831 -0.803 . . . . 0.61 108.831 179.192 64.625 102.727 89.43 104.07 2.019 103.915 -78.162 -37.175 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.34 83.07 2.45 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.524 -1.27 . . . . 1.12 109.084 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 m -79.71 -80.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.536 -0.866 . . . . 1.4 111.077 -178.919 -78.871 -155.984 127.953 104.141 2.021 104.148 -171.313 -81.031 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.98 103.2 5.93 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.143 -1.023 . . . . 1.86 109.855 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.02 -128.52 40.03 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.284 -1.436 . . . . 1.07 109.567 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -101.52 4.46 41.14 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.492 -0.883 . . . . 1.12 109.686 179.364 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.78 147.4 24.46 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 119.626 -0.829 . . . . 1.49 110.215 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -92.65 153.3 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 119.438 -0.905 . . . . 1.14 111.719 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -77.85 -149.44 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.46 -0.791 . . . . 1.23 109.062 177.98 -131.308 51.12 -166.08 106.31 2.019 103.792 -65.939 -96.261 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLN . . . -148.88 124.39 1.82 Allowed Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.293 -1.432 . . . . 2.07 109.948 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 25.8 tt0 -42.48 138.12 1.9 Allowed 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.233 -0.987 . . . . 3.47 109.929 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 107.18 -10.83 40.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.366 -1.494 . . . . 1.24 109.366 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.6 m-20 -103.2 -158.73 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 120.058 -0.657 . . . . 2.04 109.299 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -159.94 105.04 1.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.371 -0.932 . . . . 1.81 110.026 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.7 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.447 -0.901 . . . . 1.37 110.485 -179.709 -81.031 -171.313 127.953 104.148 2.021 104.141 -155.984 -78.871 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.7 mm -125.7 101.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 CA-C-N 115.678 -0.692 . . . . 1.26 109.465 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 31' ' ' GLY . 95.6 mt -76.35 -168.42 0.96 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.763 -0.775 . . . . 1.22 111.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 0.69 117.17 0.01 OUTLIER Glycine 0 N--CA 1.51 3.613 0 O-C-N 124.854 1.347 . . . . 2.27 113.49 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.55 54.23 0.26 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.759 0.79 . . . . 5.33 109.053 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.6 72.15 0.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 115.12 -0.946 . . . . 7.52 110.534 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.525 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . . . 94.67 -31.63 6.7 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.531 -1.318 . . . . 5.6 110.783 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.53 91.72 7.93 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.271 -0.971 . . . . 6.1 109.728 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -80.93 -27.84 36.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.576 -0.849 . . . . 5.33 110.808 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -157.23 145.04 19.02 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.387 -1.325 . . . . 2.18 112.066 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -161.59 106.5 1.29 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.914 -1.039 . . . . 2.06 109.12 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.97 82.43 4.33 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.214 -0.994 . . . . 0.68 110.046 -179.333 -96.261 -65.939 -166.08 103.792 2.019 106.31 51.12 -131.308 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.97 162.45 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 119.762 -0.775 . . . . 1.39 109.698 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -72.86 172.74 10.29 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.4 -0.92 . . . . 1.42 110.828 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 25' ' ' GLY . . . 132.68 -144.03 15.81 Favored Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.338 -1.105 . . . . 1.59 110.338 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -130.31 106.34 8.5 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 119.865 -0.734 . . . . 3.27 110.199 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . -95.28 -165.19 35.03 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.379 -1.391 . . . . 2.2 110.285 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.99 138.78 26.75 Favored Pre-proline 0 N--CA 1.495 1.818 0 C-N-CA 119.642 -0.823 . . . . 1.58 109.596 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.33 101.52 0.25 Allowed 'Trans proline' 0 C--O 1.214 -0.704 0 C-N-CA 120.86 1.04 . . . . 0.87 110.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -44.2 107.59 0.62 Allowed Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.147 -1.021 . . . . 1.85 109.678 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.46 171.53 2.49 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 120.681 0.921 . . . . 2.39 111.029 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 116.338 -1.791 . . . . 4.47 110.164 -179.756 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 109.183 -0.673 . . . . 3.21 109.183 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.79 119.01 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 119.583 -0.847 . . . . 1.66 109.998 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.6 -122.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.267 -0.973 . . . . 0.76 110.313 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -150.31 178.49 8.97 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.238 -0.985 . . . . 1.4 110.225 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.36 126.01 30.17 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.456 -0.897 . . . . 1.21 110.081 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.55 167.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.72 -0.792 . . . . 0.84 110.783 -179.636 -37.175 -78.162 89.43 103.915 2.019 104.07 102.727 64.625 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -156.13 2.79 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.809 -0.757 . . . . 0.63 109.652 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' C ' HD12 ' A' ' 30' ' ' LEU . 33.5 tt0 -156.93 136.95 12.63 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.68 -0.808 . . . . 1.69 110.04 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 134.07 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.581 -0.847 . . . . 0.42 110.722 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 1.0 24.32 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 119.981 -1.104 . . . . 0.6 111.098 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 28.4 mt-30 -82.69 -176.84 6.48 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.16 -1.016 . . . . 1.75 110.169 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 34.2 m-20 -148.98 -60.15 0.22 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 119.008 -1.077 . . . . 2.06 111.31 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.71 56.52 1.88 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.297 -0.961 . . . . 0.73 110.808 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.74 173.0 11.92 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.831 -0.803 . . . . 0.61 108.831 179.192 64.625 102.727 89.43 104.07 2.019 103.915 -78.162 -37.175 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.34 83.07 2.45 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.524 -1.27 . . . . 0.43 109.084 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 m -79.71 -80.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.536 -0.866 . . . . 1.4 111.077 -178.919 -78.871 -155.984 127.953 104.141 2.021 104.148 -171.313 -81.031 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.98 103.2 5.93 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.143 -1.023 . . . . 1.86 109.855 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.02 -128.52 40.03 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.284 -1.436 . . . . 0.69 109.567 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.52 4.46 41.14 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.492 -0.883 . . . . 0.69 109.686 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.78 147.4 24.46 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 119.626 -0.829 . . . . 1.25 110.215 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -92.65 153.3 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 119.438 -0.905 . . . . 0.54 111.719 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -77.85 -149.44 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.46 -0.791 . . . . 1.23 109.062 177.98 -131.308 51.12 -166.08 106.31 2.019 103.792 -65.939 -96.261 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLN . . . -148.88 124.39 1.82 Allowed Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.293 -1.432 . . . . 1.33 109.948 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 25.8 tt0 -42.48 138.12 1.9 Allowed 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.233 -0.987 . . . . 3.06 109.929 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 107.18 -10.83 40.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.366 -1.494 . . . . 0.87 109.366 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.6 m-20 -103.2 -158.73 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 120.058 -0.657 . . . . 1.59 109.299 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpp -159.94 105.04 1.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.371 -0.932 . . . . 1.2 110.026 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.7 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.447 -0.901 . . . . 1.37 110.485 -179.709 -81.031 -171.313 127.953 104.148 2.021 104.141 -155.984 -78.871 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 27' ' ' LYS . 37.7 mm -125.7 101.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 CA-C-N 115.678 -0.692 . . . . 0.68 109.465 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 8' ' ' GLU . 95.6 mt -76.35 -168.42 0.96 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.763 -0.775 . . . . 0.87 111.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 0.69 117.17 0.01 OUTLIER Glycine 0 N--CA 1.51 3.613 0 O-C-N 124.854 1.347 . . . . 2.27 113.49 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.55 54.23 0.26 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.759 0.79 . . . . 5.06 109.053 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.6 72.15 0.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 115.12 -0.946 . . . . 7.52 110.534 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.67 -31.63 6.7 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.531 -1.318 . . . . 5.02 110.783 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.53 91.72 7.93 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.271 -0.971 . . . . 6.1 109.728 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HE2' ' H ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -80.93 -27.84 36.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.576 -0.849 . . . . 5.04 110.808 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.23 145.04 19.02 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.387 -1.325 . . . . 1.77 112.066 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -161.59 106.5 1.29 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.914 -1.039 . . . . 1.49 109.12 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.97 82.43 4.33 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.214 -0.994 . . . . 0.65 110.046 -179.333 -96.261 -65.939 -166.08 103.792 2.019 106.31 51.12 -131.308 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.97 162.45 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 119.762 -0.775 . . . . 0.82 109.698 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -72.86 172.74 10.29 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.4 -0.92 . . . . 0.99 110.828 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 25' ' ' GLY . . . 132.68 -144.03 15.81 Favored Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.338 -1.105 . . . . 1.59 110.338 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -130.31 106.34 8.5 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 119.865 -0.734 . . . . 3.27 110.199 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . -95.28 -165.19 35.03 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.379 -1.391 . . . . 1.69 110.285 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.99 138.78 26.75 Favored Pre-proline 0 N--CA 1.495 1.818 0 C-N-CA 119.642 -0.823 . . . . 1.2 109.596 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.33 101.52 0.25 Allowed 'Trans proline' 0 C--O 1.214 -0.704 0 C-N-CA 120.86 1.04 . . . . 0.73 110.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -44.2 107.59 0.62 Allowed Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.147 -1.021 . . . . 1.29 109.678 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.46 171.53 2.49 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 120.681 0.921 . . . . 1.98 111.029 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 116.338 -1.791 . . . . 4.07 110.164 -179.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 109.183 -0.673 . . . . 3.21 109.183 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 t -142.79 119.01 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 119.583 -0.847 . . . . 1.66 109.998 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -84.6 -122.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 119.267 -0.973 . . . . 0.76 110.313 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -150.31 178.49 8.97 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.238 -0.985 . . . . 1.4 110.225 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.36 126.01 30.17 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.456 -0.897 . . . . 1.21 110.081 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.55 167.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.72 -0.792 . . . . 0.84 110.783 -179.636 -37.175 -78.162 89.43 103.915 2.019 104.07 102.727 64.625 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -156.13 2.79 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.809 -0.757 . . . . 0.63 109.652 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' C ' HD12 ' A' ' 30' ' ' LEU . 33.5 tt0 -156.93 136.95 12.63 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.68 -0.808 . . . . 1.69 110.04 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.07 134.07 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.581 -0.847 . . . . 0.42 110.722 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 1.0 24.32 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 119.981 -1.104 . . . . 0.6 111.098 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 28.4 mt-30 -82.69 -176.84 6.48 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 119.16 -1.016 . . . . 1.75 110.169 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 34.2 m-20 -148.98 -60.15 0.22 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 119.008 -1.077 . . . . 2.06 111.31 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.71 56.52 1.88 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.297 -0.961 . . . . 0.73 110.808 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.74 173.0 11.92 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.831 -0.803 . . . . 0.61 108.831 179.192 64.625 102.727 89.43 104.07 2.019 103.915 -78.162 -37.175 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.34 83.07 2.45 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.524 -1.27 . . . . 0.43 109.084 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 m -79.71 -80.17 0.13 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.536 -0.866 . . . . 1.4 111.077 -178.919 -78.871 -155.984 127.953 104.141 2.021 104.148 -171.313 -81.031 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.98 103.2 5.93 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.143 -1.023 . . . . 1.86 109.855 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.02 -128.52 40.03 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.284 -1.436 . . . . 0.69 109.567 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.52 4.46 41.14 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.492 -0.883 . . . . 0.69 109.686 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.78 147.4 24.46 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 119.626 -0.829 . . . . 1.25 110.215 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -92.65 153.3 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 119.438 -0.905 . . . . 0.54 111.719 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -77.85 -149.44 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 115.46 -0.791 . . . . 1.23 109.062 177.98 -131.308 51.12 -166.08 106.31 2.019 103.792 -65.939 -96.261 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLN . . . -148.88 124.39 1.82 Allowed Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.293 -1.432 . . . . 1.33 109.948 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 25.8 tt0 -42.48 138.12 1.9 Allowed 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.233 -0.987 . . . . 3.06 109.929 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 107.18 -10.83 40.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.366 -1.494 . . . . 0.87 109.366 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.6 m-20 -103.2 -158.73 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 120.058 -0.657 . . . . 1.59 109.299 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpp -159.94 105.04 1.55 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.371 -0.932 . . . . 1.2 110.026 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 18.7 m -83.32 148.76 27.16 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.447 -0.901 . . . . 1.37 110.485 -179.709 -81.031 -171.313 127.953 104.148 2.021 104.141 -155.984 -78.871 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 27' ' ' LYS . 37.7 mm -125.7 101.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 CA-C-N 115.678 -0.692 . . . . 0.68 109.465 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 8' ' ' GLU . 95.6 mt -76.35 -168.42 0.96 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.763 -0.775 . . . . 0.87 111.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 0.69 117.17 0.01 OUTLIER Glycine 0 N--CA 1.51 3.613 0 O-C-N 124.854 1.347 . . . . 2.27 113.49 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.55 54.23 0.26 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.759 0.79 . . . . 5.06 109.053 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.6 72.15 0.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 115.12 -0.946 . . . . 7.52 110.534 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.67 -31.63 6.7 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.531 -1.318 . . . . 5.02 110.783 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.53 91.72 7.93 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.271 -0.971 . . . . 6.1 109.728 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HE2' ' H ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -80.93 -27.84 36.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.576 -0.849 . . . . 5.04 110.808 -178.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -157.23 145.04 19.02 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.387 -1.325 . . . . 1.77 112.066 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -161.59 106.5 1.29 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 114.914 -1.039 . . . . 1.49 109.12 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -77.97 82.43 4.33 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.214 -0.994 . . . . 0.65 110.046 -179.333 -96.261 -65.939 -166.08 103.792 2.019 106.31 51.12 -131.308 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.97 162.45 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 C-N-CA 119.762 -0.775 . . . . 0.82 109.698 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.3 t -72.86 172.74 10.29 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.4 -0.92 . . . . 0.99 110.828 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 25' ' ' GLY . . . 132.68 -144.03 15.81 Favored Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.338 -1.105 . . . . 1.59 110.338 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -130.31 106.34 8.5 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 119.865 -0.734 . . . . 3.27 110.199 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . -95.28 -165.19 35.03 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.379 -1.391 . . . . 1.69 110.285 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.99 138.78 26.75 Favored Pre-proline 0 N--CA 1.495 1.818 0 C-N-CA 119.642 -0.823 . . . . 1.2 109.596 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.33 101.52 0.25 Allowed 'Trans proline' 0 C--O 1.214 -0.704 0 C-N-CA 120.86 1.04 . . . . 0.73 110.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -44.2 107.59 0.62 Allowed Pre-proline 0 N--CA 1.495 1.78 0 C-N-CA 119.147 -1.021 . . . . 1.29 109.678 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.46 171.53 2.49 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 120.681 0.921 . . . . 1.98 111.029 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 116.338 -1.791 . . . . 4.07 110.164 -179.756 . . . . . . . . 0 0 . 1 stop_ save_