data_2wnm_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 2wnm _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 ' 26' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.78 -27.73 64.32 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.956 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.607 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 20.0 m -95.21 84.88 4.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.532 ' HG ' ' HH ' ' A' ' 52' ' ' TYR . 23.9 tp -99.24 -9.03 24.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -81.02 38.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.655 0.741 . . . . 0.0 110.67 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' C ' ' H ' ' A' ' 33' ' ' ASN . 9.1 m -74.07 85.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.218 -173.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.38 -32.18 0.24 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.552 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' VAL . 25.0 t-20 -68.33 145.94 53.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.701 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 46.9 mmtm -73.69 86.08 1.65 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 0.0 110.464 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -76.98 129.7 36.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.639 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 85.6 m-85 -123.26 158.6 30.56 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.506 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.465 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 92.2 m95 -119.45 106.86 12.66 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -89.57 114.92 26.56 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.514 ' HA ' ' HG3' ' A' ' 48' ' ' GLU . 18.2 m -71.31 97.5 1.59 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.001 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.629 HG11 ' HB2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -89.51 102.31 12.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.823 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 23.9 tt0 -103.98 147.82 26.92 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.497 -166.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -133.27 -177.69 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m -62.08 -41.06 97.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.836 0.35 . . . . 0.0 111.472 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -79.95 -44.4 20.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.936 0.398 . . . . 0.0 111.836 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.93 146.28 26.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.391 . . . . 0.0 111.256 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.823 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 40.5 p -102.09 124.94 48.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -103.65 177.91 4.71 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -177.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HG3' ' HA ' ' A' ' 39' ' ' THR . 6.3 mt-10 -150.9 131.32 13.76 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.626 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.707 ' HB ' ' CE1' ' A' ' 67' ' ' TYR . 17.2 t -127.12 138.79 33.47 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.923 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 28.3 Cg_endo -64.19 112.64 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.73 2.286 . . . . 0.0 113.626 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.639 ' HB ' ' HB2' ' A' ' 36' ' ' PHE . 19.2 mm -90.83 143.4 11.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.674 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' HH ' ' HG ' ' A' ' 29' ' ' LEU . 71.4 m-85 -126.89 113.97 17.26 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.223 0.535 . . . . 0.0 110.06 173.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB2' ' HG2' ' A' ' 58' ' ' GLU . . . -148.1 -173.04 4.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.916 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -93.29 -57.74 2.52 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.517 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -100.59 -178.65 3.85 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.041 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.9 tm? -84.17 -31.65 25.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.69 -37.79 87.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.822 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.716 ' HG2' ' HB2' ' A' ' 53' ' ' ALA . 25.2 tt0 -67.87 -46.82 70.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.981 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' ' 51' ' ' ILE . . . -58.43 -38.95 78.5 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.712 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.786 ' HA ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -64.92 -49.27 71.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.044 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 10.4 pt-20 -67.08 -35.96 80.96 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HB3' HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -53.75 -48.93 69.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 O-C-N 123.654 0.596 . . . . 0.0 110.336 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 67' ' ' TYR . . . -55.63 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.75 -15.74 13.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.421 . . . . 0.0 111.855 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 66.9 t90 -90.76 -47.24 7.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.32 0.581 . . . . 0.0 111.23 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . 5.3 tp-100 -92.94 -25.93 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.614 0.721 . . . . 0.0 110.221 -170.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.707 ' CE1' ' HB ' ' A' ' 49' ' ' VAL . 2.7 m-30 -93.59 21.69 6.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.389 -166.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.722 ' HB ' ' HD3' ' A' ' 69' ' ' PRO . 65.8 t -64.04 -54.53 39.43 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.952 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.722 ' HD3' ' HB ' ' A' ' 68' ' ' VAL . 6.2 Cg_exo -75.65 9.09 2.37 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.487 2.125 . . . . 0.0 113.001 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.34 -16.05 55.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.53 -49.11 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.917 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.629 ' HB2' HG11 ' A' ' 40' ' ' VAL . 33.5 m-85 -75.02 176.49 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.984 0.421 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -112.57 124.38 52.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.83 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -71.92 105.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.874 0.845 . . . . 0.0 109.75 -178.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 41' ' ' GLU . 28.7 p -94.03 -25.92 17.0 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.746 -174.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -147.04 158.74 44.02 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.749 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG22 ' HA ' ' A' ' 60' ' ' LEU . 28.9 t -143.1 124.31 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 167.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 29.4 ptt85 -124.21 150.82 64.73 Favored Pre-proline 0 C--O 1.221 -0.439 0 CA-C-O 120.939 0.4 . . . . 0.0 110.407 -177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.616 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 Cg_exo -81.93 126.67 5.18 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.883 2.388 . . . . 0.0 112.488 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 t -75.74 -38.87 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 m 32.92 55.48 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.608 1.192 . . . . 0.0 113.115 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -131.47 145.98 59.97 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.503 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.14 -6.54 16.65 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.364 2.043 . . . . 0.0 112.075 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.607 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 45.8 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.361 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.78 -27.73 64.32 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.956 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 20.0 m -95.21 84.88 4.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.24 -9.03 24.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -81.02 38.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.655 0.741 . . . . 0.0 110.67 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -74.07 85.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.218 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.38 -32.18 0.24 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.552 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.33 145.94 53.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 46.9 mmtm -73.69 86.08 1.65 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 0.0 110.464 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -76.98 129.7 36.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.673 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 85.6 m-85 -123.26 158.6 30.56 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.506 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 92.2 m95 -119.45 106.86 12.66 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -89.57 114.92 26.56 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.543 ' HA ' ' HG3' ' A' ' 48' ' ' GLU . 18.2 m -71.31 97.5 1.59 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.001 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -89.51 102.31 12.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.842 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 23.9 tt0 -103.98 147.82 26.92 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.497 -166.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -133.27 -177.69 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m -62.08 -41.06 97.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.836 0.35 . . . . 0.0 111.472 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -79.95 -44.4 20.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.936 0.398 . . . . 0.0 111.836 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' CE1' ' HE1' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -150.93 146.28 26.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.391 . . . . 0.0 111.256 -172.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.842 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 40.5 p -102.09 124.94 48.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -103.65 177.91 4.71 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -177.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 39' ' ' THR . 6.3 mt-10 -150.9 131.32 13.76 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.626 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' ' CE1' ' A' ' 67' ' ' TYR . 17.2 t -127.12 138.79 33.47 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.923 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 28.3 Cg_endo -64.19 112.64 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.73 2.286 . . . . 0.0 113.626 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 36' ' ' PHE . 19.2 mm -90.83 143.4 11.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.674 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -126.89 113.97 17.26 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.223 0.535 . . . . 0.0 110.06 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -148.1 -173.04 4.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.916 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -93.29 -57.74 2.52 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.517 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -100.59 -178.65 3.85 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.041 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.9 tm? -84.17 -31.65 25.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.69 -37.79 87.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.822 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HG2' ' HB1' ' A' ' 53' ' ' ALA . 25.2 tt0 -67.87 -46.82 70.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.981 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 51' ' ' ILE . . . -58.43 -38.95 78.5 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.712 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.779 ' HA ' HG21 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -64.92 -49.27 71.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.044 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 65' ' ' TRP . 10.4 pt-20 -67.08 -35.96 80.96 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.631 ' HB3' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -53.75 -48.93 69.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 O-C-N 123.654 0.596 . . . . 0.0 110.336 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 67' ' ' TYR . . . -55.63 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 74' ' ' VAL . 41.8 mt-10 -58.75 -15.74 13.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.421 . . . . 0.0 111.855 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 66.9 t90 -90.76 -47.24 7.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.32 0.581 . . . . 0.0 111.23 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . 5.3 tp-100 -92.94 -25.93 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.614 0.721 . . . . 0.0 110.221 -170.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.712 ' CE1' ' HB ' ' A' ' 49' ' ' VAL . 2.7 m-30 -93.59 21.69 6.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.389 -166.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.735 ' HB ' ' HD3' ' A' ' 69' ' ' PRO . 65.8 t -64.04 -54.53 39.43 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.952 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB ' ' A' ' 68' ' ' VAL . 6.2 Cg_exo -75.65 9.09 2.37 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.487 2.125 . . . . 0.0 113.001 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.34 -16.05 55.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.53 -49.11 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.917 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.689 ' HB2' HG12 ' A' ' 40' ' ' VAL . 33.5 m-85 -75.02 176.49 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.984 0.421 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -112.57 124.38 52.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.83 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -71.92 105.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.874 0.845 . . . . 0.0 109.75 -178.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -94.03 -25.92 17.0 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.746 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -147.04 158.74 44.02 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.749 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 60' ' ' LEU . 28.9 t -143.1 124.31 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 167.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 29.4 ptt85 -124.21 150.82 64.73 Favored Pre-proline 0 C--O 1.221 -0.439 0 CA-C-O 120.939 0.4 . . . . 0.0 110.407 -177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 Cg_exo -81.93 126.67 5.18 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.883 2.388 . . . . 0.0 112.488 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 t -75.74 -38.87 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 m 32.92 55.48 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.608 1.192 . . . . 0.0 113.115 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -131.47 145.98 59.97 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.503 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.14 -6.54 16.65 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.364 2.043 . . . . 0.0 112.075 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 45.8 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.361 -177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.78 -27.73 64.32 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.956 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 20.0 m -95.21 84.88 4.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.24 -9.03 24.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -81.02 38.52 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.655 0.741 . . . . 0.0 110.67 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -74.07 85.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.218 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 73.38 -32.18 0.24 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.552 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.33 145.94 53.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 46.9 mmtm -73.69 86.08 1.65 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 0.0 110.464 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -76.98 129.7 36.48 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.673 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . 85.6 m-85 -123.26 158.6 30.56 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.506 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 50' ' ' PRO . 92.2 m95 -119.45 106.86 12.66 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -89.57 114.92 26.56 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.543 ' HA ' ' HG3' ' A' ' 48' ' ' GLU . 18.2 m -71.31 97.5 1.59 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.001 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -89.51 102.31 12.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.842 ' HG3' ' HB3' ' A' ' 46' ' ' SER . 23.9 tt0 -103.98 147.82 26.92 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.497 -166.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -133.27 -177.69 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 167.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m -62.08 -41.06 97.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.836 0.35 . . . . 0.0 111.472 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -79.95 -44.4 20.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.936 0.398 . . . . 0.0 111.836 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.93 146.28 26.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.922 0.391 . . . . 0.0 111.256 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.842 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 40.5 p -102.09 124.94 48.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -103.65 177.91 4.71 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -177.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 39' ' ' THR . 6.3 mt-10 -150.9 131.32 13.76 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.626 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' ' CE1' ' A' ' 67' ' ' TYR . 17.2 t -127.12 138.79 33.47 Favored Pre-proline 0 C--N 1.315 -0.923 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.923 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 28.3 Cg_endo -64.19 112.64 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.73 2.286 . . . . 0.0 113.626 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 36' ' ' PHE . 19.2 mm -90.83 143.4 11.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.674 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -126.89 113.97 17.26 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.223 0.535 . . . . 0.0 110.06 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.715 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -148.1 -173.04 4.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.916 -175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -93.29 -57.74 2.52 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.517 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.7 p -100.59 -178.65 3.85 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.041 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.9 tm? -84.17 -31.65 25.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.69 -37.79 87.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.822 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HG2' ' HB1' ' A' ' 53' ' ' ALA . 25.2 tt0 -67.87 -46.82 70.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.981 177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 51' ' ' ILE . . . -58.43 -38.95 78.5 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.712 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.779 ' HA ' HG21 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -64.92 -49.27 71.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.044 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 65' ' ' TRP . 10.4 pt-20 -67.08 -35.96 80.96 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.631 ' HB3' HD12 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -53.75 -48.93 69.22 Favored 'General case' 0 CA--C 1.52 -0.199 0 O-C-N 123.654 0.596 . . . . 0.0 110.336 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 67' ' ' TYR . . . -55.63 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 74' ' ' VAL . 41.8 mt-10 -58.75 -15.74 13.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.985 0.421 . . . . 0.0 111.855 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 66.9 t90 -90.76 -47.24 7.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.32 0.581 . . . . 0.0 111.23 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HB3' ' HD2' ' A' ' 67' ' ' TYR . 5.3 tp-100 -92.94 -25.93 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.614 0.721 . . . . 0.0 110.221 -170.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.712 ' CE1' ' HB ' ' A' ' 49' ' ' VAL . 2.7 m-30 -93.59 21.69 6.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.389 -166.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.735 ' HB ' ' HD3' ' A' ' 69' ' ' PRO . 65.8 t -64.04 -54.53 39.43 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.952 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB ' ' A' ' 68' ' ' VAL . 6.2 Cg_exo -75.65 9.09 2.37 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.487 2.125 . . . . 0.0 113.001 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.34 -16.05 55.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.53 -49.11 3.4 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.917 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.689 ' HB2' HG12 ' A' ' 40' ' ' VAL . 33.5 m-85 -75.02 176.49 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.984 0.421 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -112.57 124.38 52.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.83 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -71.92 105.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.874 0.845 . . . . 0.0 109.75 -178.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -94.03 -25.92 17.0 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.746 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -147.04 158.74 44.02 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.749 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 60' ' ' LEU . 28.9 t -143.1 124.31 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 167.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 29.4 ptt85 -124.21 150.82 64.73 Favored Pre-proline 0 C--O 1.221 -0.439 0 CA-C-O 120.939 0.4 . . . . 0.0 110.407 -177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 3.7 Cg_exo -81.93 126.67 5.18 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.883 2.388 . . . . 0.0 112.488 177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 t -75.74 -38.87 58.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 m 32.92 55.48 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 124.608 1.192 . . . . 0.0 113.115 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -131.47 145.98 59.97 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.503 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.14 -6.54 16.65 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.364 2.043 . . . . 0.0 112.075 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 28' ' ' SER . 45.8 mtmt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.361 -177.737 . . . . . . . . 1 1 . 1 stop_ save_