data_2mc6_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 2mc6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.939 0.399 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.545 ' OD1' ' HA ' ' A' ' 18' ' ' ARG . 13.0 m120 -121.12 111.71 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.212 0.53 . . . . 0.0 109.589 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.46 159.7 14.87 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 52.1 m-85 -107.28 139.37 41.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.537 ' HB ' ' HG ' ' B' ' 5' ' ' LEU . 52.4 m -139.43 154.43 47.78 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 78.3 mt-30 -53.84 130.22 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 HG23 ' CD2' ' B' ' 8' ' ' PHE . 62.6 mt -71.22 85.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.947 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.497 ' HB3' ' HA ' ' A' ' 67' ' ' LEU . 10.2 t 54.34 -86.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.45 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.24 -24.21 6.95 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.69 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -51.84 114.74 1.38 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -56.85 -35.61 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.952 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 16.9 m120 -145.48 65.77 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.994 0.426 . . . . 0.0 110.961 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' GLN . . . -140.07 145.01 37.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 71.3 m-85 -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.5 122.65 1.23 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.494 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' OG ' HD22 ' B' ' 4' ' ' LEU . 7.7 t -148.42 132.78 17.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.3 tt0 -83.45 96.63 8.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.684 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 78.3 ttt180 -64.19 83.7 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.047 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.97 -121.69 5.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.715 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -99.0 -7.76 26.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.312 0.577 . . . . 0.0 110.042 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.29 158.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.019 174.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 39' ' ' PHE . 1.2 tt -106.95 138.05 43.85 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.418 -167.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -126.25 132.1 51.78 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.535 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.6 t -116.98 139.45 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.886 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 5.7 tppp? -134.13 131.25 38.48 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.0 t -121.31 132.6 70.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.349 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 87.4 mt-10 -105.47 175.53 5.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.313 0.578 . . . . 0.0 110.653 178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -104.59 173.0 6.49 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.545 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.61 -33.99 61.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.148 0.499 . . . . 0.0 110.823 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.39 1.39 37.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.016 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.09 16.91 73.41 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.924 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -81.8 123.65 28.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.593 0.235 . . . . 0.0 110.536 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 p -64.78 113.88 4.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.01 -58.51 2.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.36 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.49 139.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 111.858 -170.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 32.2 tt0 -126.37 104.48 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.261 170.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.99 153.18 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.653 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -120.68 139.94 52.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.648 0.737 . . . . 0.0 111.087 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 66.6 m-85 -128.3 168.56 15.34 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.9 128.08 39.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.851 0.75 . . . . 0.0 110.177 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.634 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 32.3 ttp180 -77.64 -15.88 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.49 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.786 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.95 -34.99 74.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.855 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 41' ' ' ARG . 4.3 m-85 -80.45 -74.45 0.31 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.88 -54.6 0.56 Allowed Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.938 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -128.23 -178.42 4.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 117.769 0.784 . . . . 0.0 112.751 -167.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.639 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 21.1 m-20 -66.16 -50.33 51.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.409 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.524 ' HG2' ' OE2' ' A' ' 49' ' ' GLU . 10.6 Cg_endo -51.93 -47.34 27.03 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.06 1.84 . . . . 0.0 113.332 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' OE2' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mp0 -57.25 -32.53 66.67 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 111.125 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.639 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 2.5 t80 -61.62 -49.48 76.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.187 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.58 -44.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.954 0.407 . . . . 0.0 111.866 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.44 70.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 5.0 tp10 -76.57 -33.77 58.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 110.135 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.13 -47.94 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.904 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 5.4 p -57.34 -35.24 69.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.508 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -59.3 -50.63 73.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.45 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -77.51 -45.57 25.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 0.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -63.56 -34.68 78.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.239 -169.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' HB3' ' HZ3' ' A' ' 59' ' ' LYS . 10.5 mtpm? -54.58 -39.28 67.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -7.62 53.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 0.0 111.246 -176.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.78 -8.42 31.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.78 17.82 1.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.405 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -99.94 106.16 3.12 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.44 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -139.09 108.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.952 0.876 . . . . 0.0 112.627 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 22.8 tptm 176.91 -90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.59 168.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 179.03 142.58 0.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 HD11 ' N ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -98.12 -32.05 11.8 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.297 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.509 ' N ' HD11 ' A' ' 67' ' ' LEU . 41.3 p -132.89 93.17 3.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.43 74.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.332 0.587 . . . . 0.0 111.05 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.09 9.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.001 0.905 . . . . 0.0 109.676 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.27 71.23 0.59 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.612 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -73.96 99.13 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.323 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.634 -178.429 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.52 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 6.6 ptt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.52 ' H ' ' HG3' ' B' ' 1' ' ' MET . 25.1 pttm -85.58 -15.77 41.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.336 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' B' ' 4' ' ' LEU . 1.6 p-10 -73.26 -79.77 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.115 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.455 ' H ' ' CG ' ' B' ' 3' ' ' ASP . 29.8 mt 60.88 -156.92 0.34 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 122.875 0.47 . . . . 0.0 111.098 176.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.561 HD11 ' O ' ' B' ' 5' ' ' LEU . 2.9 tm? -60.17 -25.32 65.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 0.0 110.478 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.18 -25.04 65.25 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.201 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -35.64 62.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.41 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.488 ' CD2' HG23 ' A' ' 7' ' ' ILE . 61.3 m-85 -58.35 -69.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.526 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.02 -30.56 69.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.102 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.018 -0.991 . . . . 0.0 111.019 177.283 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.939 0.399 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 18' ' ' ARG . 13.0 m120 -121.12 111.71 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.212 0.53 . . . . 0.0 109.589 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.46 159.7 14.87 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 52.1 m-85 -107.28 139.37 41.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.581 ' HB ' ' HG ' ' B' ' 5' ' ' LEU . 52.4 m -139.43 154.43 47.78 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 78.3 mt-30 -53.84 130.22 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG23 ' CD2' ' B' ' 8' ' ' PHE . 62.6 mt -71.22 85.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.947 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' A' ' 67' ' ' LEU . 10.2 t 54.34 -86.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.45 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.24 -24.21 6.95 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.69 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -51.84 114.74 1.38 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -56.85 -35.61 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.952 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 16.9 m120 -145.48 65.77 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.994 0.426 . . . . 0.0 110.961 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . . . -140.07 145.01 37.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 71.3 m-85 -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.5 122.65 1.23 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.494 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' OG ' HD22 ' B' ' 4' ' ' LEU . 7.7 t -148.42 132.78 17.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.3 tt0 -83.45 96.63 8.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.684 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 78.3 ttt180 -64.19 83.7 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.047 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.97 -121.69 5.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.715 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -99.0 -7.76 26.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.312 0.577 . . . . 0.0 110.042 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.29 158.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.019 174.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 39' ' ' PHE . 1.2 tt -106.95 138.05 43.85 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.418 -167.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -126.25 132.1 51.78 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.535 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.6 t -116.98 139.45 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.886 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 5.7 tppp? -134.13 131.25 38.48 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' HB2' ' A' ' 61' ' ' ASN . 30.0 t -121.31 132.6 70.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.349 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 87.4 mt-10 -105.47 175.53 5.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.313 0.578 . . . . 0.0 110.653 178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -104.59 173.0 6.49 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.545 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.61 -33.99 61.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.148 0.499 . . . . 0.0 110.823 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.39 1.39 37.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.016 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.09 16.91 73.41 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.924 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -81.8 123.65 28.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.593 0.235 . . . . 0.0 110.536 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 p -64.78 113.88 4.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.01 -58.51 2.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.36 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.49 139.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 111.858 -170.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 32.2 tt0 -126.37 104.48 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.261 170.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.99 153.18 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.653 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -120.68 139.94 52.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.648 0.737 . . . . 0.0 111.087 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 66.6 m-85 -128.3 168.56 15.34 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.9 128.08 39.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.851 0.75 . . . . 0.0 110.177 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.646 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 32.3 ttp180 -77.64 -15.88 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.49 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.786 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.95 -34.99 74.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.855 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 41' ' ' ARG . 4.3 m-85 -80.45 -74.45 0.31 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.88 -54.6 0.56 Allowed Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.938 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -128.23 -178.42 4.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 117.769 0.784 . . . . 0.0 112.751 -167.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 21.1 m-20 -66.16 -50.33 51.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.409 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.538 ' HG2' ' OE2' ' A' ' 49' ' ' GLU . 10.6 Cg_endo -51.93 -47.34 27.03 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.06 1.84 . . . . 0.0 113.332 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE2' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mp0 -57.25 -32.53 66.67 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 111.125 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 2.5 t80 -61.62 -49.48 76.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.187 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.58 -44.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.954 0.407 . . . . 0.0 111.866 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.44 70.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 5.0 tp10 -76.57 -33.77 58.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 110.135 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.13 -47.94 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.904 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 58' ' ' LEU . 5.4 p -57.34 -35.24 69.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.508 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -59.3 -50.63 73.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.45 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -77.51 -45.57 25.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 0.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -63.56 -34.68 78.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.239 -169.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 55' ' ' SER . 10.5 mtpm? -54.58 -39.28 67.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -7.62 53.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 0.0 111.246 -176.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' HB2' HG11 ' A' ' 26' ' ' VAL . 73.8 m-20 -96.78 -8.42 31.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.78 17.82 1.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.405 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -99.94 106.16 3.12 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.44 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -139.09 108.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.952 0.876 . . . . 0.0 112.627 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 22.8 tptm 176.91 -90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.59 168.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 179.03 142.58 0.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 8' ' ' SER . 0.9 OUTLIER -98.12 -32.05 11.8 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.297 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.496 ' N ' HD12 ' A' ' 67' ' ' LEU . 41.3 p -132.89 93.17 3.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.43 74.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.332 0.587 . . . . 0.0 111.05 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.09 9.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.001 0.905 . . . . 0.0 109.676 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.27 71.23 0.59 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.612 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -73.96 99.13 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.323 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.634 -178.429 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 6.6 ptt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 1' ' ' MET . 25.1 pttm -85.58 -15.77 41.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.336 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 17' ' ' GLN . 1.6 p-10 -73.26 -79.77 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.115 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' H ' ' CG ' ' B' ' 3' ' ' ASP . 29.8 mt 60.88 -156.92 0.34 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 122.875 0.47 . . . . 0.0 111.098 176.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.581 ' HG ' ' HB ' ' A' ' 5' ' ' THR . 2.9 tm? -60.17 -25.32 65.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 0.0 110.478 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.18 -25.04 65.25 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.201 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -74.69 -35.64 62.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.41 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 7' ' ' ILE . 61.3 m-85 -58.35 -69.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.526 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.02 -30.56 69.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.102 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.018 -0.991 . . . . 0.0 111.019 177.283 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.939 0.399 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 18' ' ' ARG . 13.0 m120 -121.12 111.71 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.212 0.53 . . . . 0.0 109.589 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.46 159.7 14.87 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 14' ' ' PHE . 52.1 m-85 -107.28 139.37 41.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.581 ' HB ' ' HG ' ' B' ' 5' ' ' LEU . 52.4 m -139.43 154.43 47.78 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 78.3 mt-30 -53.84 130.22 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG23 ' CD2' ' B' ' 8' ' ' PHE . 62.6 mt -71.22 85.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.947 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' A' ' 67' ' ' LEU . 10.2 t 54.34 -86.24 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.45 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.24 -24.21 6.95 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.69 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -51.84 114.74 1.38 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -56.85 -35.61 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.952 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 16.9 m120 -145.48 65.77 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.994 0.426 . . . . 0.0 110.961 -177.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . . . -140.07 145.01 37.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.623 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' LYS . 71.3 m-85 -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.5 122.65 1.23 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.494 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' OG ' HD22 ' B' ' 4' ' ' LEU . 7.7 t -148.42 132.78 17.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.3 tt0 -83.45 96.63 8.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.684 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 78.3 ttt180 -64.19 83.7 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.047 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.97 -121.69 5.5 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.715 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -99.0 -7.76 26.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.312 0.577 . . . . 0.0 110.042 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.29 158.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.019 174.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 39' ' ' PHE . 1.2 tt -106.95 138.05 43.85 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.418 -167.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -126.25 132.1 51.78 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.535 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 27.6 t -116.98 139.45 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.886 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 5.7 tppp? -134.13 131.25 38.48 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' HB2' ' A' ' 61' ' ' ASN . 30.0 t -121.31 132.6 70.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.349 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 87.4 mt-10 -105.47 175.53 5.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.313 0.578 . . . . 0.0 110.653 178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -104.59 173.0 6.49 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.545 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.61 -33.99 61.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.148 0.499 . . . . 0.0 110.823 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.39 1.39 37.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.016 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.09 16.91 73.41 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.924 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -81.8 123.65 28.97 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.593 0.235 . . . . 0.0 110.536 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.6 p -64.78 113.88 4.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.01 -58.51 2.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.36 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -127.49 139.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 111.858 -170.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 32.2 tt0 -126.37 104.48 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.261 170.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.99 153.18 25.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.653 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -120.68 139.94 52.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.648 0.737 . . . . 0.0 111.087 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 66.6 m-85 -128.3 168.56 15.34 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -130.9 128.08 39.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.851 0.75 . . . . 0.0 110.177 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.646 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 32.3 ttp180 -77.64 -15.88 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.49 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.786 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.95 -34.99 74.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.855 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.646 ' CD2' ' HA ' ' A' ' 41' ' ' ARG . 4.3 m-85 -80.45 -74.45 0.31 Allowed 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.88 -54.6 0.56 Allowed Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.938 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -128.23 -178.42 4.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 117.769 0.784 . . . . 0.0 112.751 -167.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 21.1 m-20 -66.16 -50.33 51.12 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.409 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.538 ' HG2' ' OE2' ' A' ' 49' ' ' GLU . 10.6 Cg_endo -51.93 -47.34 27.03 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.06 1.84 . . . . 0.0 113.332 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE2' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mp0 -57.25 -32.53 66.67 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 111.125 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 2.5 t80 -61.62 -49.48 76.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.187 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.58 -44.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.954 0.407 . . . . 0.0 111.866 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.27 -30.44 70.88 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 5.0 tp10 -76.57 -33.77 58.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 110.135 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.13 -47.94 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.904 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 58' ' ' LEU . 5.4 p -57.34 -35.24 69.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.508 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -59.3 -50.63 73.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.45 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -77.51 -45.57 25.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 0.0 110.974 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -63.56 -34.68 78.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.239 -169.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 55' ' ' SER . 10.5 mtpm? -54.58 -39.28 67.65 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -7.62 53.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 0.0 111.246 -176.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' HB2' HG11 ' A' ' 26' ' ' VAL . 12.4 m120 -96.78 -8.42 31.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.78 17.82 1.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.405 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -99.94 106.16 3.12 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.44 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -139.09 108.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.952 0.876 . . . . 0.0 112.627 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 64' ' ' ILE . 22.8 tptm 176.91 -90.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.59 168.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 179.03 142.58 0.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 8' ' ' SER . 0.9 OUTLIER -98.12 -32.05 11.8 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.297 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.496 ' N ' HD12 ' A' ' 67' ' ' LEU . 41.3 p -132.89 93.17 3.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -72.43 74.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.332 0.587 . . . . 0.0 111.05 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.09 9.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.001 0.905 . . . . 0.0 109.676 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.27 71.23 0.59 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.612 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -73.96 99.13 3.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.323 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.634 -178.429 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 6.6 ptt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 1' ' ' MET . 25.1 pttm -85.58 -15.77 41.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.336 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 17' ' ' GLN . 1.6 p-10 -73.26 -79.77 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.115 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' H ' ' CG ' ' B' ' 3' ' ' ASP . 29.8 mt 60.88 -156.92 0.34 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 122.875 0.47 . . . . 0.0 111.098 176.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.581 ' HG ' ' HB ' ' A' ' 5' ' ' THR . 2.9 tm? -60.17 -25.32 65.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 0.0 110.478 -178.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.18 -25.04 65.25 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.201 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -74.69 -35.64 62.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 110.41 179.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 7' ' ' ILE . 61.3 m-85 -58.35 -69.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.526 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.02 -30.56 69.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.102 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.018 -0.991 . . . . 0.0 111.019 177.283 . . . . . . . . 0 0 . 1 stop_ save_