data_1yui_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 1yui _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 ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.391 3.239 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.409 3.261 . . . . 0.69 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.58 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.575 3.469 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.45 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.755 3.693 . . . . 0.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.45 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.423 4.529 . . . . 0.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.516 ' O6 ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.636 3.545 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.615 3.519 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.532 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.43 4.537 . . . . 0.75 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.374 3.217 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.5 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.47 3.337 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.498 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.904 3.88 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.834 3.792 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.506 3.383 . . . . 1.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.903 3.879 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.142 2.928 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.511 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.009 3.078 . . . . 1.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.515 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.419 4.524 . . . . 1.47 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.515 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.579 4.724 . . . . 1.12 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.746 3.682 . . . . 0.63 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.411 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.979 3.974 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.425 0 O4'-C1'-N19 110.581 3.476 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.285 3.107 . . . . 0.78 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.48 0.704 0 CA-C-O 121.476 0.532 . . . . 7.85 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -141.96 -164.14 1.73 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.356 -1.349 . . . . 8.05 107.356 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.26 76.32 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.454 -0.898 . . . . 4.4 109.436 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 124.73 28.04 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.449 -2.426 . . . . 4.82 104.449 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -70.22 88.51 0.62 Allowed 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 122.916 1.341 . . . . 1.71 107.838 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.54 122.41 28.98 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.357 -1.292 . . . . 1.46 109.952 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -91.99 15.15 13.85 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.339 -1.356 . . . . 2.55 107.339 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.563 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -80.43 -39.21 1.15 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.574 -0.704 . . . . 3.82 111.8 -177.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 52.5 Cg_exo -52.37 145.64 35.45 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 121.889 1.726 . . . . 1.39 111.218 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.39 174.76 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.059 1.839 . . . . 1.49 111.732 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.12 69.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.86 -1.296 . . . . 1.2 109.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -91.33 86.94 6.27 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.242 . . . . 1.41 108.94 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.25 147.79 32.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 2.23 109.386 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -104.38 76.45 0.28 Allowed Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.534 -0.728 . . . . 2.52 111.219 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.66 138.05 48.04 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.271 1.314 . . . . 0.97 110.617 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 27' ' ' ARG . 97.4 mtt180 -72.54 -7.33 49.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.086 -1.009 . . . . 3.87 110.849 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -71.08 6.97 1.36 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.854 -1.154 . . . . 1.24 108.718 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 20.6 mmt180 -111.63 -41.85 3.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.617 -0.677 . . . . 2.3 109.54 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 p -97.06 -24.13 15.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.318 -0.863 . . . . 1.05 109.911 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -73.72 -40.78 63.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 3.25 109.012 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -54.37 -27.03 33.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.85 . . . . 1.09 109.228 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' HG3' HH21 ' A' ' 47' ' ' ARG . 78.7 mm-40 -90.19 147.48 23.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.855 . . . . 0.81 109.59 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -128.71 149.58 72.45 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.587 -0.696 . . . . 2.81 109.133 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -37.7 152.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 122.394 2.063 . . . . 0.97 112.552 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ILE . . . -148.04 133.01 18.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -0.922 . . . . 1.07 110.19 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -113.56 153.33 28.97 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.448 -0.782 . . . . 1.14 109.992 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.86 118.42 67.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 108.671 -0.863 . . . . 0.51 108.671 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.68 3.34 3.82 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.224 1.282 . . . . 1.51 112.689 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -103.19 -56.19 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.17 -0.956 . . . . 1.2 109.433 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 p -117.87 20.02 13.51 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.407 -0.808 . . . . 0.51 110.07 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.817 . . . . 1.16 112.329 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.49 136.3 49.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.519 -1.363 . . . . 1.07 107.769 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.65 103.6 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.996 -1.065 . . . . 1.16 109.995 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ALA . 40.1 mm -104.2 125.56 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.567 -0.901 . . . . 1.07 108.567 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -66.59 -68.84 0.34 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 2.9 110.99 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -72.95 137.28 45.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.961 . . . . 0.99 110.608 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.5 p -65.7 -37.13 85.59 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.599 -0.688 . . . . 1.03 109.823 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 2.7 ptp180 -58.04 -39.51 78.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.723 -1.236 . . . . 2.3 108.867 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.19 -33.33 74.23 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.372 -0.83 . . . . 0.36 109.248 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -52.6 -45.2 66.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.983 -1.073 . . . . 1.12 108.263 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -48.91 78.1 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.817 -0.808 . . . . 4.38 108.817 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -59.56 -33.16 71.06 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.31 0.576 . . . . 1.18 109.704 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -66.54 -31.78 72.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 0.39 108.951 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.59 -45.17 84.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 1.2 109.484 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 26.9 mt-10 -74.52 -16.26 60.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.349 -0.845 . . . . 2.09 111.955 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.38 -40.66 7.79 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.631 -1.293 . . . . 1.22 111.296 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.9 mmm180 -105.75 10.07 32.83 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.022 -1.049 . . . . 2.79 112.319 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.6 m-70 -152.68 -73.2 0.14 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.171 -1.581 . . . . 0.72 110.856 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.2 14.86 0.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.901 -1.124 . . . . 1.18 109.053 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 54' ' ' GLU . . . -73.5 5.59 3.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.531 -0.731 . . . . 1.22 109.274 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -83.31 150.16 59.94 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.628 -1.249 . . . . 3.66 107.628 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -58.13 125.84 19.75 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 N-CA-C 107.977 -1.586 . . . . 2.39 107.977 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.35 -159.26 4.4 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.84 -1.704 . . . . 3.9 108.84 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.849 -1.072 . . . . 6.17 108.639 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.391 3.239 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.575 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.409 3.261 . . . . 0.68999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.575 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.575 3.469 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.445 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.755 3.693 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.445 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.423 4.529 . . . . 0.48999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.516 ' O6 ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.636 3.545 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.615 3.519 . . . . 0.64000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.532 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.43 4.537 . . . . 0.75 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.374 3.217 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.499 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.47 3.337 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.496 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.904 3.88 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.834 3.792 . . . . 0.91000000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.506 3.383 . . . . 0.71999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.903 3.879 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.142 2.928 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.419 4.524 . . . . 1.47 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.579 4.724 . . . . 0.54000000000000004 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.746 3.682 . . . . 0.59999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.408 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.979 3.974 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DG' . . . . . 0.408 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.425 0 O4'-C1'-N19 110.581 3.476 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.285 3.107 . . . . 0.78000000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.48 0.704 0 CA-C-O 121.476 0.532 . . . . 7.1200000000000001 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -141.96 -164.14 1.73 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.356 -1.349 . . . . 7.7400000000000002 107.356 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.26 76.32 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.454 -0.898 . . . . 3.96 109.436 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 124.73 28.04 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.449 -2.426 . . . . 4.5199999999999996 104.449 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -70.22 88.51 0.62 Allowed 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 122.916 1.341 . . . . 1.22 107.838 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.54 122.41 28.98 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.357 -1.292 . . . . 0.90000000000000002 109.952 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -91.99 15.15 13.85 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.339 -1.356 . . . . 2.0099999999999998 107.339 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.563 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -80.43 -39.21 1.15 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.574 -0.704 . . . . 3.0299999999999998 111.8 -177.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 52.5 Cg_exo -52.37 145.64 35.45 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 121.889 1.726 . . . . 1.1599999999999999 111.218 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.39 174.76 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.059 1.839 . . . . 1.3400000000000001 111.732 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.12 69.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.86 -1.296 . . . . 1.1200000000000001 109.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 21' ' ' THR . 3.9 t -91.33 86.94 6.27 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.242 . . . . 0.91000000000000003 108.94 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.25 147.79 32.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 2.23 109.386 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -104.38 76.45 0.28 Allowed Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.534 -0.728 . . . . 2.0600000000000001 111.219 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.66 138.05 48.04 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.271 1.314 . . . . 0.83999999999999997 110.617 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' C ' ' H ' ' A' ' 27' ' ' ARG . 97.4 mtt180 -72.54 -7.33 49.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.086 -1.009 . . . . 3.21 110.849 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -71.08 6.97 1.36 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.854 -1.154 . . . . 0.83999999999999997 108.718 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 20.6 mmt180 -111.63 -41.85 3.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.617 -0.677 . . . . 1.75 109.54 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 p -97.06 -24.13 15.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.318 -0.863 . . . . 0.51000000000000001 109.911 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -73.72 -40.78 63.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 2.5800000000000001 109.012 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -54.37 -27.03 33.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.85 . . . . 0.57999999999999996 109.228 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HG3' HH21 ' A' ' 47' ' ' ARG . 78.7 mm-40 -90.19 147.48 23.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.855 . . . . 0.81000000000000005 109.59 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -128.71 149.58 72.45 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.587 -0.696 . . . . 2.1299999999999999 109.133 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -37.7 152.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 122.394 2.063 . . . . 0.66000000000000003 112.552 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.04 133.01 18.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -0.922 . . . . 0.32000000000000001 110.19 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -113.56 153.33 28.97 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.448 -0.782 . . . . 0.40999999999999998 109.992 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.86 118.42 67.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 108.671 -0.863 . . . . 0.51000000000000001 108.671 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.68 3.34 3.82 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.224 1.282 . . . . 1.01 112.689 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -103.19 -56.19 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.17 -0.956 . . . . 0.56000000000000005 109.433 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -117.87 20.02 13.51 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.407 -0.808 . . . . 0.47999999999999998 110.07 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.817 . . . . 0.76000000000000001 112.329 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.49 136.3 49.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.519 -1.363 . . . . 0.38 107.769 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.65 103.6 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.996 -1.065 . . . . 0.45000000000000001 109.995 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -104.2 125.56 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.567 -0.901 . . . . 0.31 108.567 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -66.59 -68.84 0.34 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 2.1099999999999999 110.99 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -72.95 137.28 45.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.961 . . . . 0.75 110.608 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.5 p -65.7 -37.13 85.59 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.599 -0.688 . . . . 0.41999999999999998 109.823 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.542 HH21 ' HG3' ' A' ' 31' ' ' GLU . 2.7 ptp180 -58.04 -39.51 78.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.723 -1.236 . . . . 1.76 108.867 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.19 -33.33 74.23 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.372 -0.83 . . . . 0.34999999999999998 109.248 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -52.6 -45.2 66.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.983 -1.073 . . . . 0.41999999999999998 108.263 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -48.91 78.1 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.817 -0.808 . . . . 3.7599999999999998 108.817 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -59.56 -33.16 71.06 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.31 0.576 . . . . 0.88 109.704 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -66.54 -31.78 72.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 0.34000000000000002 108.951 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.59 -45.17 84.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.46000000000000002 109.484 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 26.9 mt-10 -74.52 -16.26 60.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.349 -0.845 . . . . 2.0899999999999999 111.955 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.38 -40.66 7.79 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.631 -1.293 . . . . 0.52000000000000002 111.296 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.9 mmm180 -105.75 10.07 32.83 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.022 -1.049 . . . . 2.0899999999999999 112.319 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.6 m-70 -152.68 -73.2 0.14 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.171 -1.581 . . . . 0.71999999999999997 110.856 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.2 14.86 0.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.901 -1.124 . . . . 1.0 109.053 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.5 5.59 3.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.531 -0.731 . . . . 1.0600000000000001 109.274 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -83.31 150.16 59.94 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.628 -1.249 . . . . 3.2200000000000002 107.628 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -58.13 125.84 19.75 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 N-CA-C 107.977 -1.586 . . . . 2.3900000000000001 107.977 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.35 -159.26 4.4 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.84 -1.704 . . . . 3.8999999999999999 108.84 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.849 -1.072 . . . . 5.8499999999999996 108.639 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.391 3.239 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.575 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.409 3.261 . . . . 0.69 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.575 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.575 3.469 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.445 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.755 3.693 . . . . 0.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.445 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.147 1 O4'-C1'-N19 111.423 4.529 . . . . 0.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.516 ' O6 ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.636 3.545 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.615 3.519 . . . . 0.64 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.532 ' O6 ' ' NH1' ' A' ' 27' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.43 4.537 . . . . 0.75 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.374 3.217 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.499 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.47 3.337 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.496 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.904 3.88 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.834 3.792 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.506 3.383 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.903 3.879 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.142 2.928 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.419 4.524 . . . . 1.47 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.579 4.724 . . . . 0.54 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.746 3.682 . . . . 0.6 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.408 H2'' " O5'" ' C' ' 121' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.979 3.974 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DG' . . . . . 0.408 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.425 0 O4'-C1'-N19 110.581 3.476 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.285 3.107 . . . . 0.78 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.48 0.704 0 CA-C-O 121.476 0.532 . . . . 7.12 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -141.96 -164.14 1.73 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.356 -1.349 . . . . 7.74 107.356 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.26 76.32 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.454 -0.898 . . . . 3.96 109.436 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 124.73 28.04 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.449 -2.426 . . . . 4.52 104.449 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -70.22 88.51 0.62 Allowed 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 122.916 1.341 . . . . 1.22 107.838 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.54 122.41 28.98 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.357 -1.292 . . . . 0.9 109.952 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -91.99 15.15 13.85 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.339 -1.356 . . . . 2.01 107.339 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.563 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -80.43 -39.21 1.15 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.574 -0.704 . . . . 3.03 111.8 -177.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 52.5 Cg_exo -52.37 145.64 35.45 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 121.889 1.726 . . . . 1.16 111.218 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.39 174.76 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.059 1.839 . . . . 1.34 111.732 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.12 69.18 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.86 -1.296 . . . . 1.12 109.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 21' ' ' THR . 3.9 t -91.33 86.94 6.27 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.242 . . . . 0.91 108.94 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -79.25 147.79 32.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 2.23 109.386 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -104.38 76.45 0.28 Allowed Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.534 -0.728 . . . . 2.06 111.219 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.66 138.05 48.04 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.271 1.314 . . . . 0.84 110.617 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' C ' ' H ' ' A' ' 27' ' ' ARG . 97.4 mtt180 -72.54 -7.33 49.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.086 -1.009 . . . . 3.21 110.849 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.1 m -71.08 6.97 1.36 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.854 -1.154 . . . . 0.84 108.718 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' NH1' ' O6 ' ' B' ' 108' ' ' ' DG' . 20.6 mmt180 -111.63 -41.85 3.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.617 -0.677 . . . . 1.75 109.54 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 p -97.06 -24.13 15.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.318 -0.863 . . . . 0.51 109.911 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -73.72 -40.78 63.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 2.58 109.012 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -54.37 -27.03 33.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.85 . . . . 0.58 109.228 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' HG3' HH21 ' A' ' 47' ' ' ARG . 78.7 mm-40 -90.19 147.48 23.54 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.855 . . . . 0.81 109.59 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -128.71 149.58 72.45 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.587 -0.696 . . . . 2.13 109.133 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -37.7 152.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 122.394 2.063 . . . . 0.66 112.552 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.04 133.01 18.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -0.922 . . . . 0.32 110.19 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -113.56 153.33 28.97 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.448 -0.782 . . . . 0.41 109.992 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.86 118.42 67.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 N-CA-C 108.671 -0.863 . . . . 0.51 108.671 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.68 3.34 3.82 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.224 1.282 . . . . 1.01 112.689 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.9 mt -103.19 -56.19 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.17 -0.956 . . . . 0.56 109.433 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 41' ' ' ALA . 14.5 p -117.87 20.02 13.51 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.407 -0.808 . . . . 0.48 110.07 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 52.98 17.58 0.92 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.817 . . . . 0.76 112.329 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -55.49 136.3 49.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.519 -1.363 . . . . 0.38 107.769 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.65 103.6 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 120.996 -1.065 . . . . 0.45 109.995 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.1 mm -104.2 125.56 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.567 -0.901 . . . . 0.31 108.567 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -66.59 -68.84 0.34 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 2.11 110.99 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -72.95 137.28 45.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.961 . . . . 0.75 110.608 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.5 p -65.7 -37.13 85.59 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.599 -0.688 . . . . 0.42 109.823 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.542 HH21 ' HG3' ' A' ' 31' ' ' GLU . 2.7 ptp180 -58.04 -39.51 78.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.723 -1.236 . . . . 1.76 108.867 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -68.19 -33.33 74.23 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.372 -0.83 . . . . 0.35 109.248 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -52.6 -45.2 66.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.983 -1.073 . . . . 0.42 108.263 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -48.91 78.1 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.817 -0.808 . . . . 3.76 108.817 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -59.56 -33.16 71.06 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.31 0.576 . . . . 0.88 109.704 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -66.54 -31.78 72.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 0.34 108.951 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.59 -45.17 84.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.46 109.484 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 26.9 mt-10 -74.52 -16.26 60.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.349 -0.845 . . . . 2.09 111.955 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.38 -40.66 7.79 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.631 -1.293 . . . . 0.52 111.296 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 16.9 mmm180 -105.75 10.07 32.83 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.022 -1.049 . . . . 2.09 112.319 -177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 56' ' ' ARG . 90.6 m-70 -152.68 -73.2 0.14 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.171 -1.581 . . . . 0.72 110.856 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.2 14.86 0.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.901 -1.124 . . . . 1.0 109.053 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 54' ' ' GLU . . . -73.5 5.59 3.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.531 -0.731 . . . . 1.06 109.274 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -83.31 150.16 59.94 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.628 -1.249 . . . . 3.22 107.628 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -58.13 125.84 19.75 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 N-CA-C 107.977 -1.586 . . . . 2.39 107.977 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.35 -159.26 4.4 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 108.84 -1.704 . . . . 3.9 108.84 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 117.849 -1.072 . . . . 5.85 108.639 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_