data_1csz_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 1csz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 121.918 0.732 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p 49.24 88.66 0.02 OUTLIER 'General case' 0 C--N 1.345 0.4 0 CA-C-N 112.963 -1.619 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 4' ' ' ARG . 3.6 ptm85 -169.04 35.02 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.249 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' ARG . 50.3 ttt180 52.79 166.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 4' ' ' ARG . . . -85.95 -90.53 0.1 Allowed 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.031 -1.895 . . . . 0.0 109.467 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -70.75 154.7 41.6 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' VAL . 6.0 p -43.54 118.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.642 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.46 51.66 4.61 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 112.931 -1.94 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p 46.03 73.49 0.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.983 -1.609 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.8 m170 -69.91 81.58 0.47 Allowed 'General case' 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 109.483 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 4.1 tt0 -56.87 -54.74 43.08 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.437 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' A' ' 13' ' ' MET . 49.5 mtpt -36.31 106.45 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 112.064 -2.334 . . . . 0.0 110.059 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.644 ' SD ' ' CD ' ' A' ' 14' ' ' PRO . 1.7 mmt 153.13 158.31 0.0 OUTLIER Pre-proline 0 C--N 1.348 0.522 0 CA-C-N 112.525 -2.125 . . . . 0.0 107.587 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.644 ' CD ' ' SD ' ' A' ' 13' ' ' MET . 26.6 Cg_endo -82.75 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.639 2.226 . . . . 0.0 110.617 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -67.69 9.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 110.853 -2.885 . . . . 0.0 111.174 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' PRO . 36.0 t80 -135.97 83.37 2.01 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.815 -1.554 . . . . 0.0 110.375 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 13' ' ' MET . 5.6 m-70 -113.21 112.93 24.6 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 112.999 -1.91 . . . . 0.0 108.605 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.97 34.29 4.32 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.005 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ILE . 87.9 tttt -124.16 -53.37 1.73 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.056 -1.572 . . . . 0.0 109.58 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 19' ' ' LYS . 2.1 pt -41.93 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-N 112.931 -1.94 . . . . 0.0 109.917 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.7 t -90.23 -73.66 0.52 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.868 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CD ' ' O3P' ' B' ' 2' ' ' PTR . 22.2 ttp-105 -178.47 -40.28 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 111.318 -2.673 . . . . 0.0 107.101 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' CG ' ' N ' ' A' ' 24' ' ' GLU . 3.6 pt-20 -79.58 -45.19 19.64 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.866 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.591 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 29.2 mm-40 -48.28 -40.1 23.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 110.766 -2.925 . . . . 0.0 110.177 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.509 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.9 p -81.25 -25.38 36.64 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.177 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.512 ' CG ' HG13 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.9 -22.18 53.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.561 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.613 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 5.2 pt20 -83.41 -28.07 29.14 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.6 ' O ' ' CG1' ' A' ' 31' ' ' ILE . 16.9 mt -69.75 -39.17 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.043 0 CA-C-N 112.358 -2.201 . . . . 0.0 108.51 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.701 ' CG2' ' SG ' ' A' ' 106' ' ' CYS . 1.1 t -63.33 -28.81 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 112.173 -2.285 . . . . 0.0 108.842 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' CD2' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -58.46 -36.19 73.33 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 112.73 -2.032 . . . . 0.0 107.708 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.6 ' CG1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -66.38 -67.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 111.622 -2.535 . . . . 0.0 109.163 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -104.78 144.21 15.76 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 110.249 -3.16 . . . . 0.0 112.971 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.757 ' HG ' ' CD2' ' A' ' 55' ' ' LEU . 28.5 t 139.5 -127.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 111.717 -2.241 . . . . 0.0 108.331 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 33' ' ' SER . 3.0 tppt? 82.12 -57.53 0.22 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.898 1.332 . . . . 0.0 110.195 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -60.15 3.22 0.07 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 110.858 -2.883 . . . . 0.0 113.282 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.606 ' H ' ' C ' ' A' ' 34' ' ' LYS . 2.0 t-20 52.76 99.25 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 113.427 -1.715 . . . . 0.0 109.039 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.38 -9.18 1.24 Allowed Glycine 0 CA--C 1.535 1.331 0 CA-C-N 112.177 -2.283 . . . . 0.0 111.813 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 33' ' ' SER . 5.9 tptt -73.71 146.62 44.29 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.442 -1.703 . . . . 0.0 107.812 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 15.9 p90 -160.84 160.7 31.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.105 -1.862 . . . . 0.0 111.899 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 3.6 pp -156.89 124.17 5.28 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 111.996 -2.365 . . . . 0.0 108.552 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD11 ' H ' ' A' ' 42' ' ' ARG . 5.5 tp -89.68 153.11 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 113.26 -1.791 . . . . 0.0 109.285 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.582 ' H ' HD11 ' A' ' 41' ' ' ILE . 54.0 ttt-85 -130.1 134.51 47.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.844 -1.98 . . . . 0.0 109.399 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.31 109.95 1.99 Allowed 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.565 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 45' ' ' ASP . 55.0 mtp180 -83.82 -155.34 0.18 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.948 -1.933 . . . . 0.0 109.384 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' H ' ' HB3' ' A' ' 44' ' ' ARG . 30.0 t70 -161.01 84.99 0.67 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.074 -1.875 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.8 OUTLIER -172.27 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.444 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 13.7 t-20 177.94 132.22 0.07 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.58 -133.86 6.65 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -159.0 164.76 35.25 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.055 -1.572 . . . . 0.0 109.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -93.6 174.78 7.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.843 -1.981 . . . . 0.0 108.581 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' TYR . . . -170.32 130.46 0.92 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 117.596 -1.642 . . . . 0.0 110.706 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD1' HD11 ' A' ' 54' ' ' LEU . 1.6 tp -79.7 133.52 36.37 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 112.124 -2.307 . . . . 0.0 109.698 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 61.3 m -129.09 113.8 15.57 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.341 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.582 ' CD2' ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -134.52 171.74 13.89 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.097 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.757 ' CD2' ' HG ' ' A' ' 33' ' ' SER . 1.8 tp -122.88 138.86 54.54 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 117.069 -1.852 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 4.7 t60 -79.48 -98.71 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 112.681 -2.054 . . . . 0.0 109.391 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.89 11.81 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.448 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.95 32.04 0.19 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.473 -1.694 . . . . 0.0 110.955 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -147.25 100.01 3.22 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 112.074 -2.063 . . . . 0.0 105.581 179.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG13 ' CG ' ' A' ' 26' ' ' GLU . 1.5 p -66.42 144.66 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.339 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' HB3' ' CG ' ' B' ' 3' ' ' GLU . 21.4 mt -127.69 166.18 18.61 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 111.8 -2.455 . . . . 0.0 111.033 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' B' ' 3' ' ' GLU . 36.1 m-70 -144.77 141.39 29.18 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 110.412 -3.085 . . . . 0.0 108.649 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 58.1 m-85 -132.37 120.23 21.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' B' ' 2' ' ' PTR . 2.1 ptt-85 -64.63 137.09 57.63 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.533 HG12 ' CG1' ' A' ' 75' ' ' ILE . 10.9 mt -130.5 117.76 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.114 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 67' ' ' LYS . 30.4 t70 -150.1 176.76 10.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.745 -2.025 . . . . 0.0 108.632 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -90.61 -152.55 0.27 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.454 -2.157 . . . . 0.0 109.762 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.67 50.65 1.27 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 112.734 -2.03 . . . . 0.0 108.734 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt 47.34 29.44 1.28 Allowed 'General case' 0 C--N 1.344 0.328 0 CA-C-N 112.763 -2.017 . . . . 0.0 109.975 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.79 -29.8 7.28 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 112.147 -2.297 . . . . 0.0 108.633 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.49 -17.33 18.73 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.401 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 81.5 mttt -96.71 141.32 30.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.379 -1.41 . . . . 0.0 109.188 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 81' ' ' PHE . 69.3 mt -79.02 157.58 28.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 113.54 -1.663 . . . . 0.0 108.437 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.51 ' CB ' ' HG2' ' A' ' 80' ' ' LYS . 53.6 p -170.31 -169.54 0.85 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.285 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.607 HG21 ' H ' ' A' ' 78' ' ' GLY . 32.4 mt -144.02 141.96 19.35 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 112.001 -2.363 . . . . 0.0 108.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' A' ' 75' ' ' ILE . 2.8 Cg_exo -51.11 -67.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 121.954 1.769 . . . . 0.0 111.353 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 78' ' ' GLY . 46.4 mm-40 -81.72 -34.08 30.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.678 -2.055 . . . . 0.0 110.12 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.607 ' H ' HG21 ' A' ' 75' ' ' ILE . . . -56.4 -120.38 0.01 OUTLIER Glycine 0 C--N 1.35 1.308 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.5 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' CG ' ' H ' ' A' ' 80' ' ' LYS . 19.5 tptt -137.01 -140.15 0.15 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.041 -1.579 . . . . 0.0 110.061 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.51 ' HG2' ' CB ' ' A' ' 74' ' ' SER . 91.0 mttt -150.79 127.04 10.6 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.933 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 73' ' ' LEU . 78.6 m-85 -138.58 174.75 10.21 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.233 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -76.58 -52.38 9.83 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.083 -2.326 . . . . 0.0 109.482 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 85' ' ' TRP . 79.3 p -144.33 173.7 11.54 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.594 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 5.7 mt -63.45 -3.58 2.17 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.503 ' H ' ' C ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -86.36 -29.31 23.04 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 113.328 -1.76 . . . . 0.0 109.757 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.56 ' HA ' ' CG ' ' A' ' 89' ' ' GLU . 62.3 mm-40 -89.78 -42.5 11.26 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 112.14 -2.3 . . . . 0.0 109.386 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' C ' ' CD2' ' A' ' 87' ' ' LEU . 4.7 tt -65.6 -26.31 67.78 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 116.22 -2.192 . . . . 0.0 109.916 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.594 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 4.5 t -81.42 -51.24 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 118.197 -1.401 . . . . 0.0 110.051 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.576 ' HG3' ' H ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -61.45 -43.44 98.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 116.923 -1.911 . . . . 0.0 109.987 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.576 ' H ' ' HG3' ' A' ' 89' ' ' GLU . 7.9 t60 -55.26 -57.51 11.52 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.539 -2.118 . . . . 0.0 109.1 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CE1' ' CB ' ' A' ' 96' ' ' ASP . 3.3 m-30 -60.05 -23.87 64.09 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 111.061 -2.79 . . . . 0.0 109.923 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.521 ' HB2' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -60.18 -13.7 13.64 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 117.363 -1.735 . . . . 0.0 109.101 177.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 101' ' ' VAL . 9.5 m-30 -89.69 -60.27 1.98 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 111.898 -2.41 . . . . 0.0 108.679 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.504 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 11.8 ptpt -131.61 -178.09 4.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 110.575 -3.011 . . . . 0.0 111.401 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.585 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -82.25 -44.91 15.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 110.147 -3.206 . . . . 0.0 108.414 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' CB ' ' CE1' ' A' ' 91' ' ' TYR . 0.4 OUTLIER 72.48 -10.29 0.95 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.231 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 163.75 -26.28 0.2 Allowed Glycine 0 CA--C 1.535 1.336 0 CA-C-N 112.169 -2.287 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.639 ' CD2' HD22 ' B' ' 5' ' ' LEU . 23.8 mt -49.06 179.86 0.0 OUTLIER 'General case' 0 C--N 1.351 0.641 0 C-N-CA 118.377 -1.329 . . . . 0.0 108.824 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.69 83.76 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.379 176.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.484 ' HB3' HD22 ' A' ' 36' ' ' ASN . 18.8 tpt180 -155.09 156.31 35.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 112.127 -2.306 . . . . 0.0 108.452 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 93' ' ' TYR . 4.3 t -52.23 177.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.918 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.5 mp -102.32 162.2 13.11 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 111.974 -2.376 . . . . 0.0 107.633 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.519 HG21 ' CG2' ' A' ' 104' ' ' VAL . 0.5 OUTLIER -151.02 -37.27 0.13 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 112.379 -2.191 . . . . 0.0 110.805 -179.074 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.519 ' CG2' HG21 ' A' ' 103' ' ' THR . 88.9 t -144.74 147.16 34.55 Favored Pre-proline 0 C--O 1.219 -0.535 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.711 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 4.3 Cg_endo -72.17 132.82 20.16 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.997 1.798 . . . . 0.0 108.235 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.701 ' SG ' ' CG2' ' A' ' 29' ' ' VAL . 8.5 t -91.03 -64.1 1.18 Allowed 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 117.453 -1.699 . . . . 0.0 113.267 -175.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.629 ' CD ' ' H ' ' A' ' 108' ' ' LYS . 3.3 tm0? -33.26 161.88 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.415 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.629 ' H ' ' CD ' ' A' ' 107' ' ' GLN . 23.0 mtpp -57.19 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 109.536 -3.484 . . . . 0.0 112.557 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.636 ' CG2' ' H ' ' A' ' 110' ' ' GLY . 2.3 mp -95.73 -122.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 110.804 -2.907 . . . . 0.0 109.517 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.636 ' H ' ' CG2' ' A' ' 109' ' ' ILE . . . -130.25 -102.78 0.99 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.55 -83.52 0.22 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 112.998 -1.601 . . . . 0.0 109.571 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-N 113.187 -1.824 . . . . 0.0 109.528 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' THR . . . . . 0.611 ' CG2' ' O ' ' B' ' 1' ' ' THR . 0.9 OUTLIER -73.53 84.98 1.54 Allowed 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 125.202 1.564 . . . . 0.0 109.086 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PTR . . . . . 0.558 ' O3P' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.554 ' CG ' ' HB3' ' A' ' 61' ' ' LEU . 2.2 mm-40 -52.06 168.31 0.1 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 111.261 -2.699 . . . . 0.0 107.958 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' NH2 . 1.0 OUTLIER -104.36 112.59 25.69 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 117.216 -1.794 . . . . 0.0 110.441 -178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -68.04 74.69 0.21 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 110.221 -3.172 . . . . 0.0 109.692 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' NH2 . . . . . 0.431 ' N ' ' O ' ' B' ' 4' ' ' THR . . . . . . . . 0 C--N 1.345 0.398 0 CA-C-N 113.196 -1.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 121.918 0.732 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p 49.24 88.66 0.02 OUTLIER 'General case' 0 C--N 1.345 0.4 0 CA-C-N 112.963 -1.619 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 4' ' ' ARG . 3.6 ptm85 -169.04 35.02 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.249 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' ARG . 50.3 ttt180 52.79 166.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 4' ' ' ARG . . . -85.95 -90.53 0.1 Allowed 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.031 -1.895 . . . . 0.0 109.467 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -70.75 154.7 41.6 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.0 p -43.54 118.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.642 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.46 51.66 4.61 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 112.931 -1.94 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p 46.03 73.49 0.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.983 -1.609 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.8 m170 -69.91 81.58 0.47 Allowed 'General case' 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 109.483 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 4.1 tt0 -56.87 -54.74 43.08 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.437 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' MET . 49.5 mtpt -36.31 106.45 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 112.064 -2.334 . . . . 0.0 110.059 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.644 ' SD ' ' CD ' ' A' ' 14' ' ' PRO . 1.7 mmt 153.13 158.31 0.0 OUTLIER Pre-proline 0 C--N 1.348 0.522 0 CA-C-N 112.525 -2.125 . . . . 0.0 107.587 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.644 ' CD ' ' SD ' ' A' ' 13' ' ' MET . 26.6 Cg_endo -82.75 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.639 2.226 . . . . 0.0 110.617 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -67.69 9.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 110.853 -2.885 . . . . 0.0 111.174 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 14' ' ' PRO . 36.0 t80 -135.97 83.37 2.01 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.815 -1.554 . . . . 0.0 110.375 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 13' ' ' MET . 2.6 m80 -113.21 112.93 24.6 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 112.999 -1.91 . . . . 0.0 108.605 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.97 34.29 4.32 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.005 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ILE . 87.9 tttt -124.16 -53.37 1.73 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.056 -1.572 . . . . 0.0 109.58 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.1 pt -41.93 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-N 112.931 -1.94 . . . . 0.0 109.917 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.7 t -90.23 -73.66 0.52 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.868 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CD ' ' O3P' ' B' ' 2' ' ' PTR . 22.2 ttp-105 -178.47 -40.28 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 111.318 -2.673 . . . . 0.0 107.101 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' CG ' ' N ' ' A' ' 24' ' ' GLU . 3.6 pt-20 -79.58 -45.19 19.64 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.866 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.591 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 29.2 mm-40 -48.28 -40.1 23.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 110.766 -2.925 . . . . 0.0 110.177 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.725 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.9 p -81.25 -25.38 36.64 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.177 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CG ' HG11 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.9 -22.18 53.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.561 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.802 ' O ' HD23 ' A' ' 30' ' ' LEU . 5.2 pt20 -83.41 -28.07 29.14 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 25' ' ' SER . 16.9 mt -69.75 -39.17 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.043 0 CA-C-N 112.358 -2.201 . . . . 0.0 108.51 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG23 ' SG ' ' A' ' 106' ' ' CYS . 1.1 t -63.33 -28.81 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 112.173 -2.285 . . . . 0.0 108.842 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -58.46 -36.19 73.33 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 112.73 -2.032 . . . . 0.0 107.708 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -66.38 -67.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 111.622 -2.535 . . . . 0.0 109.163 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -104.78 144.21 15.76 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 110.249 -3.16 . . . . 0.0 112.971 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 28.5 t 139.5 -127.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 111.717 -2.241 . . . . 0.0 108.331 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 33' ' ' SER . 3.0 tppt? 82.12 -57.53 0.22 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.898 1.332 . . . . 0.0 110.195 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -60.15 3.22 0.07 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 110.858 -2.883 . . . . 0.0 113.282 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.558 ' ND2' ' HG2' ' A' ' 100' ' ' ARG . 34.5 t30 52.76 99.25 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 113.427 -1.715 . . . . 0.0 109.039 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.38 -9.18 1.24 Allowed Glycine 0 CA--C 1.535 1.331 0 CA-C-N 112.177 -2.283 . . . . 0.0 111.813 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 33' ' ' SER . 5.9 tptt -73.71 146.62 44.29 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.442 -1.703 . . . . 0.0 107.812 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 15.9 p90 -160.84 160.7 31.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.105 -1.862 . . . . 0.0 111.899 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 40' ' ' LEU . 3.6 pp -156.89 124.17 5.28 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 111.996 -2.365 . . . . 0.0 108.552 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 15' ' ' TRP . 5.5 tp -89.68 153.11 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 113.26 -1.791 . . . . 0.0 109.285 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 54.0 ttt-85 -130.1 134.51 47.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.844 -1.98 . . . . 0.0 109.399 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 50' ' ' TYR . . . -159.31 109.95 1.99 Allowed 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.565 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -83.82 -155.34 0.18 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.948 -1.933 . . . . 0.0 109.384 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -161.01 84.99 0.67 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.074 -1.875 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 20.4 t-20 -172.27 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.444 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 13.7 t-20 177.94 132.22 0.07 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.58 -133.86 6.65 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -159.0 164.76 35.25 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.055 -1.572 . . . . 0.0 109.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 43' ' ' ALA . 6.0 m-30 -93.6 174.78 7.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.843 -1.981 . . . . 0.0 108.581 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' TYR . . . -170.32 130.46 0.92 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 117.596 -1.642 . . . . 0.0 110.706 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' CYS . 1.6 tp -79.7 133.52 36.37 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 112.124 -2.307 . . . . 0.0 109.698 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 61.3 m -129.09 113.8 15.57 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.341 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -134.52 171.74 13.89 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.097 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD12 ' CA ' ' A' ' 60' ' ' VAL . 1.8 tp -122.88 138.86 54.54 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 117.069 -1.852 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 4.7 t60 -79.48 -98.71 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 112.681 -2.054 . . . . 0.0 109.391 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.89 11.81 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.448 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.95 32.04 0.19 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.473 -1.694 . . . . 0.0 110.955 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.25 100.01 3.22 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 112.074 -2.063 . . . . 0.0 105.581 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.858 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.5 p -66.42 144.66 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.339 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.917 HD22 ' HG3' ' B' ' 3' ' ' GLU . 21.4 mt -127.69 166.18 18.61 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 111.8 -2.455 . . . . 0.0 111.033 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' B' ' 2' ' ' PTR . 36.1 m-70 -144.77 141.39 29.18 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 110.412 -3.085 . . . . 0.0 108.649 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.58 ' CG ' HD12 ' B' ' 5' ' ' LEU . 58.1 m-85 -132.37 120.23 21.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' B' ' 2' ' ' PTR . 2.1 ptt-85 -64.63 137.09 57.63 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 52' ' ' LEU . 10.9 mt -130.5 117.76 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.114 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 67' ' ' LYS . 30.4 t70 -150.1 176.76 10.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.745 -2.025 . . . . 0.0 108.632 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -90.61 -152.55 0.27 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.454 -2.157 . . . . 0.0 109.762 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.67 50.65 1.27 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 112.734 -2.03 . . . . 0.0 108.734 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt 47.34 29.44 1.28 Allowed 'General case' 0 C--N 1.344 0.328 0 CA-C-N 112.763 -2.017 . . . . 0.0 109.975 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.79 -29.8 7.28 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 112.147 -2.297 . . . . 0.0 108.633 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.49 -17.33 18.73 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.401 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 81.5 mttt -96.71 141.32 30.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.379 -1.41 . . . . 0.0 109.188 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 81' ' ' PHE . 69.3 mt -79.02 157.58 28.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 113.54 -1.663 . . . . 0.0 108.437 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.512 ' CB ' ' HG2' ' A' ' 80' ' ' LYS . 53.6 p -170.31 -169.54 0.85 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.285 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 78' ' ' GLY . 32.4 mt -144.02 141.96 19.35 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 112.001 -2.363 . . . . 0.0 108.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 75' ' ' ILE . 2.8 Cg_exo -51.11 -67.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 121.954 1.769 . . . . 0.0 111.353 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 78' ' ' GLY . 46.4 mm-40 -81.72 -34.08 30.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.678 -2.055 . . . . 0.0 110.12 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 75' ' ' ILE . . . -56.4 -120.38 0.01 OUTLIER Glycine 0 C--N 1.35 1.308 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.5 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 80' ' ' LYS . 19.5 tptt -137.01 -140.15 0.15 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.041 -1.579 . . . . 0.0 110.061 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HG2' ' CB ' ' A' ' 74' ' ' SER . 91.0 mttt -150.79 127.04 10.6 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.933 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 73' ' ' LEU . 78.6 m-85 -138.58 174.75 10.21 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.233 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -76.58 -52.38 9.83 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.083 -2.326 . . . . 0.0 109.482 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 85' ' ' TRP . 79.3 p -144.33 173.7 11.54 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 41' ' ' ILE . 5.7 mt -63.45 -3.58 2.17 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -86.36 -29.31 23.04 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 113.328 -1.76 . . . . 0.0 109.757 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 62.3 mm-40 -89.78 -42.5 11.26 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 112.14 -2.3 . . . . 0.0 109.386 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 87' ' ' LEU . 4.7 tt -65.6 -26.31 67.78 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 116.22 -2.192 . . . . 0.0 109.916 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.594 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 4.5 t -81.42 -51.24 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 118.197 -1.401 . . . . 0.0 110.051 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -61.45 -43.44 98.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 116.923 -1.911 . . . . 0.0 109.987 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 86' ' ' GLN . 7.9 t60 -55.26 -57.51 11.52 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.539 -2.118 . . . . 0.0 109.1 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.849 ' HD2' HD11 ' A' ' 98' ' ' LEU . 3.3 m-30 -60.05 -23.87 64.09 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 111.061 -2.79 . . . . 0.0 109.923 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -60.18 -13.7 13.64 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 117.363 -1.735 . . . . 0.0 109.101 177.196 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 9.5 m-30 -89.69 -60.27 1.98 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 111.898 -2.41 . . . . 0.0 108.679 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.792 ' CA ' HG13 ' A' ' 101' ' ' VAL . 11.8 ptpt -131.61 -178.09 4.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 110.575 -3.011 . . . . 0.0 111.401 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . -82.25 -44.91 15.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 110.147 -3.206 . . . . 0.0 108.414 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' CB ' ' CE1' ' A' ' 91' ' ' TYR . 0.4 OUTLIER 72.48 -10.29 0.95 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.231 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.612 ' C ' HD23 ' B' ' 5' ' ' LEU . . . 163.75 -26.28 0.2 Allowed Glycine 0 CA--C 1.535 1.336 0 CA-C-N 112.169 -2.287 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD11 ' HD2' ' A' ' 91' ' ' TYR . 23.8 mt -49.06 179.86 0.0 OUTLIER 'General case' 0 C--N 1.351 0.641 0 C-N-CA 118.377 -1.329 . . . . 0.0 108.824 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -67.57 -41.69 83.76 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.379 176.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.558 ' HG2' ' ND2' ' A' ' 36' ' ' ASN . 18.8 tpt180 -155.09 156.31 35.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 112.127 -2.306 . . . . 0.0 108.452 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.792 HG13 ' CA ' ' A' ' 94' ' ' LYS . 4.3 t -52.23 177.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.918 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.737 ' H ' HG12 ' A' ' 101' ' ' VAL . 3.5 mp -102.32 162.2 13.11 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 111.974 -2.376 . . . . 0.0 107.633 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 1.002 ' CG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -151.02 -37.27 0.13 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 112.379 -2.191 . . . . 0.0 110.805 -179.074 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.002 HG23 ' CG2' ' A' ' 103' ' ' THR . 88.9 t -144.74 147.16 34.55 Favored Pre-proline 0 C--O 1.219 -0.535 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.711 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 104' ' ' VAL . 4.3 Cg_endo -72.17 132.82 20.16 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.997 1.798 . . . . 0.0 108.235 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.758 ' SG ' HG23 ' A' ' 29' ' ' VAL . 8.5 t -91.03 -64.1 1.18 Allowed 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 117.453 -1.699 . . . . 0.0 113.267 -175.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.711 ' HA ' HG21 ' A' ' 28' ' ' ILE . 3.3 tm0? -33.26 161.88 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.415 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' A' ' 107' ' ' GLN . 23.0 mtpp -57.19 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 109.536 -3.484 . . . . 0.0 112.557 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 109' ' ' ILE . 2.3 mp -95.73 -122.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 110.804 -2.907 . . . . 0.0 109.517 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -130.25 -102.78 0.99 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.55 -83.52 0.22 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 112.998 -1.601 . . . . 0.0 109.571 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-N 113.187 -1.824 . . . . 0.0 109.528 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.854 ' O ' HG22 ' B' ' 1' ' ' THR . 0.9 OUTLIER -73.53 84.98 1.54 Allowed 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 125.202 1.564 . . . . 0.0 109.086 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PTR . . . . . 0.558 ' O3P' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.917 ' HG3' HD22 ' A' ' 61' ' ' LEU . 2.2 mm-40 -52.06 168.31 0.1 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 111.261 -2.699 . . . . 0.0 107.958 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' NH2 . 1.0 OUTLIER -104.36 112.59 25.69 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 117.216 -1.794 . . . . 0.0 110.441 -178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -68.04 74.69 0.21 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 110.221 -3.172 . . . . 0.0 109.692 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' NH2 . . . . . 0.431 ' N ' ' O ' ' B' ' 4' ' ' THR . . . . . . . . 0 C--N 1.345 0.398 0 CA-C-N 113.196 -1.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 121.918 0.732 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p 49.24 88.66 0.02 OUTLIER 'General case' 0 C--N 1.345 0.4 0 CA-C-N 112.963 -1.619 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 4' ' ' ARG . 3.6 ptm85 -169.04 35.02 0.02 OUTLIER 'General case' 0 C--N 1.345 0.372 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.249 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' ARG . 50.3 ttt180 52.79 166.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.539 -1.664 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 4' ' ' ARG . . . -85.95 -90.53 0.1 Allowed 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.031 -1.895 . . . . 0.0 109.467 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -70.75 154.7 41.6 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.452 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 7' ' ' VAL . 6.0 p -43.54 118.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.642 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.46 51.66 4.61 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 112.931 -1.94 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p 46.03 73.49 0.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.983 -1.609 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.454 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 19.8 m170 -69.91 81.58 0.47 Allowed 'General case' 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 109.483 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 4.1 tt0 -56.87 -54.74 43.08 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.437 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 13' ' ' MET . 49.5 mtpt -36.31 106.45 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 112.064 -2.334 . . . . 0.0 110.059 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.644 ' SD ' ' CD ' ' A' ' 14' ' ' PRO . 1.7 mmt 153.13 158.31 0.0 OUTLIER Pre-proline 0 C--N 1.348 0.522 0 CA-C-N 112.525 -2.125 . . . . 0.0 107.587 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.644 ' CD ' ' SD ' ' A' ' 13' ' ' MET . 26.6 Cg_endo -82.75 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.639 2.226 . . . . 0.0 110.617 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -67.69 9.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 110.853 -2.885 . . . . 0.0 111.174 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 14' ' ' PRO . 36.0 t80 -135.97 83.37 2.01 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.815 -1.554 . . . . 0.0 110.375 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 13' ' ' MET . 5.6 m-70 -113.21 112.93 24.6 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 112.999 -1.91 . . . . 0.0 108.605 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.97 34.29 4.32 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.005 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' ILE . 87.9 tttt -124.16 -53.37 1.73 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.056 -1.572 . . . . 0.0 109.58 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.1 pt -41.93 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-N 112.931 -1.94 . . . . 0.0 109.917 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.7 t -90.23 -73.66 0.52 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.868 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CD ' ' O3P' ' B' ' 2' ' ' PTR . 22.2 ttp-105 -178.47 -40.28 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 111.318 -2.673 . . . . 0.0 107.101 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.591 ' CG ' ' N ' ' A' ' 24' ' ' GLU . 3.6 pt-20 -79.58 -45.19 19.64 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.866 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.591 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 29.2 mm-40 -48.28 -40.1 23.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 110.766 -2.925 . . . . 0.0 110.177 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.725 ' HA ' HD12 ' A' ' 28' ' ' ILE . 3.9 p -81.25 -25.38 36.64 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.177 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' CG ' HG11 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.9 -22.18 53.79 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.561 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.802 ' O ' HD23 ' A' ' 30' ' ' LEU . 5.2 pt20 -83.41 -28.07 29.14 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 25' ' ' SER . 16.9 mt -69.75 -39.17 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.043 0 CA-C-N 112.358 -2.201 . . . . 0.0 108.51 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG23 ' SG ' ' A' ' 106' ' ' CYS . 1.1 t -63.33 -28.81 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 112.173 -2.285 . . . . 0.0 108.842 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -58.46 -36.19 73.33 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 112.73 -2.032 . . . . 0.0 107.708 179.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -66.38 -67.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 111.622 -2.535 . . . . 0.0 109.163 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -104.78 144.21 15.76 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 110.249 -3.16 . . . . 0.0 112.971 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 28.5 t 139.5 -127.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 111.717 -2.241 . . . . 0.0 108.331 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' CB ' ' O ' ' A' ' 33' ' ' SER . 3.0 tppt? 82.12 -57.53 0.22 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.898 1.332 . . . . 0.0 110.195 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -60.15 3.22 0.07 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 110.858 -2.883 . . . . 0.0 113.282 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 34' ' ' LYS . 2.0 t-20 52.76 99.25 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 113.427 -1.715 . . . . 0.0 109.039 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.38 -9.18 1.24 Allowed Glycine 0 CA--C 1.535 1.331 0 CA-C-N 112.177 -2.283 . . . . 0.0 111.813 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 33' ' ' SER . 5.9 tptt -73.71 146.62 44.29 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.442 -1.703 . . . . 0.0 107.812 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 15.9 p90 -160.84 160.7 31.41 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.105 -1.862 . . . . 0.0 111.899 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 40' ' ' LEU . 3.6 pp -156.89 124.17 5.28 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 111.996 -2.365 . . . . 0.0 108.552 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 15' ' ' TRP . 5.5 tp -89.68 153.11 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 113.26 -1.791 . . . . 0.0 109.285 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' H ' HD12 ' A' ' 41' ' ' ILE . 54.0 ttt-85 -130.1 134.51 47.4 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.844 -1.98 . . . . 0.0 109.399 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 50' ' ' TYR . . . -159.31 109.95 1.99 Allowed 'General case' 0 C--N 1.344 0.359 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.565 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -83.82 -155.34 0.18 Allowed 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.948 -1.933 . . . . 0.0 109.384 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -161.01 84.99 0.67 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.074 -1.875 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.8 OUTLIER -172.27 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.444 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 13.7 t-20 177.94 132.22 0.07 Allowed 'General case' 0 C--N 1.345 0.412 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.58 -133.86 6.65 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -159.0 164.76 35.25 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.055 -1.572 . . . . 0.0 109.622 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 43' ' ' ALA . 6.0 m-30 -93.6 174.78 7.02 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.843 -1.981 . . . . 0.0 108.581 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' TYR . . . -170.32 130.46 0.92 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 117.596 -1.642 . . . . 0.0 110.706 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 53' ' ' CYS . 1.6 tp -79.7 133.52 36.37 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 112.124 -2.307 . . . . 0.0 109.698 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.921 ' N ' HD12 ' A' ' 52' ' ' LEU . 61.3 m -129.09 113.8 15.57 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.341 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -134.52 171.74 13.89 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.171 -1.831 . . . . 0.0 109.097 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD12 ' CA ' ' A' ' 60' ' ' VAL . 1.8 tp -122.88 138.86 54.54 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 117.069 -1.852 . . . . 0.0 110.79 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 36' ' ' ASN . 4.7 t60 -79.48 -98.71 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 112.681 -2.054 . . . . 0.0 109.391 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.89 11.81 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 111.448 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.95 32.04 0.19 Allowed Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.473 -1.694 . . . . 0.0 110.955 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.25 100.01 3.22 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 112.074 -2.063 . . . . 0.0 105.581 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.858 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.5 p -66.42 144.66 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.339 -177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.917 HD22 ' HG3' ' B' ' 3' ' ' GLU . 21.4 mt -127.69 166.18 18.61 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-N 111.8 -2.455 . . . . 0.0 111.033 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' B' ' 2' ' ' PTR . 36.1 m-70 -144.77 141.39 29.18 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 110.412 -3.085 . . . . 0.0 108.649 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.58 ' CG ' HD12 ' B' ' 5' ' ' LEU . 58.1 m-85 -132.37 120.23 21.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.972 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' B' ' 2' ' ' PTR . 2.1 ptt-85 -64.63 137.09 57.63 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 52' ' ' LEU . 10.9 mt -130.5 117.76 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.114 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 67' ' ' LYS . 30.4 t70 -150.1 176.76 10.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 112.745 -2.025 . . . . 0.0 108.632 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -90.61 -152.55 0.27 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.454 -2.157 . . . . 0.0 109.762 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.67 50.65 1.27 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 112.734 -2.03 . . . . 0.0 108.734 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt 47.34 29.44 1.28 Allowed 'General case' 0 C--N 1.344 0.328 0 CA-C-N 112.763 -2.017 . . . . 0.0 109.975 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.79 -29.8 7.28 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 112.147 -2.297 . . . . 0.0 108.633 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.49 -17.33 18.73 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.401 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.611 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 81.5 mttt -96.71 141.32 30.09 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.379 -1.41 . . . . 0.0 109.188 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 81' ' ' PHE . 69.3 mt -79.02 157.58 28.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 113.54 -1.663 . . . . 0.0 108.437 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.512 ' CB ' ' HG2' ' A' ' 80' ' ' LYS . 53.6 p -170.31 -169.54 0.85 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.285 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.974 HG22 ' H ' ' A' ' 78' ' ' GLY . 32.4 mt -144.02 141.96 19.35 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 112.001 -2.363 . . . . 0.0 108.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 75' ' ' ILE . 2.8 Cg_exo -51.11 -67.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 121.954 1.769 . . . . 0.0 111.353 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 78' ' ' GLY . 46.4 mm-40 -81.72 -34.08 30.75 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.678 -2.055 . . . . 0.0 110.12 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.974 ' H ' HG22 ' A' ' 75' ' ' ILE . . . -56.4 -120.38 0.01 OUTLIER Glycine 0 C--N 1.35 1.308 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.5 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 80' ' ' LYS . 19.5 tptt -137.01 -140.15 0.15 Allowed 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.041 -1.579 . . . . 0.0 110.061 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HG2' ' CB ' ' A' ' 74' ' ' SER . 91.0 mttt -150.79 127.04 10.6 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.933 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 73' ' ' LEU . 78.6 m-85 -138.58 174.75 10.21 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.233 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -76.58 -52.38 9.83 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.083 -2.326 . . . . 0.0 109.482 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 85' ' ' TRP . 79.3 p -144.33 173.7 11.54 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 41' ' ' ILE . 5.7 mt -63.45 -3.58 2.17 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.44 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -86.36 -29.31 23.04 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 113.328 -1.76 . . . . 0.0 109.757 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 62.3 mm-40 -89.78 -42.5 11.26 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 112.14 -2.3 . . . . 0.0 109.386 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 87' ' ' LEU . 4.7 tt -65.6 -26.31 67.78 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 116.22 -2.192 . . . . 0.0 109.916 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.594 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 4.5 t -81.42 -51.24 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 C-N-CA 118.197 -1.401 . . . . 0.0 110.051 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -61.45 -43.44 98.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 116.923 -1.911 . . . . 0.0 109.987 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 86' ' ' GLN . 7.9 t60 -55.26 -57.51 11.52 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 112.539 -2.118 . . . . 0.0 109.1 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.849 ' HD2' HD11 ' A' ' 98' ' ' LEU . 3.3 m-30 -60.05 -23.87 64.09 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 111.061 -2.79 . . . . 0.0 109.923 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -60.18 -13.7 13.64 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 117.363 -1.735 . . . . 0.0 109.101 177.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 9.5 m-30 -89.69 -60.27 1.98 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 111.898 -2.41 . . . . 0.0 108.679 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.792 ' CA ' HG13 ' A' ' 101' ' ' VAL . 11.8 ptpt -131.61 -178.09 4.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 110.575 -3.011 . . . . 0.0 111.401 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . -82.25 -44.91 15.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 110.147 -3.206 . . . . 0.0 108.414 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' CB ' ' CE1' ' A' ' 91' ' ' TYR . 0.4 OUTLIER 72.48 -10.29 0.95 Allowed 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.231 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.612 ' C ' HD23 ' B' ' 5' ' ' LEU . . . 163.75 -26.28 0.2 Allowed Glycine 0 CA--C 1.535 1.336 0 CA-C-N 112.169 -2.287 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.849 HD11 ' HD2' ' A' ' 91' ' ' TYR . 23.8 mt -49.06 179.86 0.0 OUTLIER 'General case' 0 C--N 1.351 0.641 0 C-N-CA 118.377 -1.329 . . . . 0.0 108.824 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 99' ' ' LEU . 0.2 OUTLIER -67.57 -41.69 83.76 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.379 176.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 36' ' ' ASN . 18.8 tpt180 -155.09 156.31 35.62 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 112.127 -2.306 . . . . 0.0 108.452 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.792 HG13 ' CA ' ' A' ' 94' ' ' LYS . 4.3 t -52.23 177.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.918 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.737 ' H ' HG12 ' A' ' 101' ' ' VAL . 3.5 mp -102.32 162.2 13.11 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 111.974 -2.376 . . . . 0.0 107.633 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 1.002 ' CG2' HG23 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -151.02 -37.27 0.13 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 112.379 -2.191 . . . . 0.0 110.805 -179.074 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.002 HG23 ' CG2' ' A' ' 103' ' ' THR . 88.9 t -144.74 147.16 34.55 Favored Pre-proline 0 C--O 1.219 -0.535 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.711 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 104' ' ' VAL . 4.3 Cg_endo -72.17 132.82 20.16 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.997 1.798 . . . . 0.0 108.235 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.758 ' SG ' HG23 ' A' ' 29' ' ' VAL . 8.5 t -91.03 -64.1 1.18 Allowed 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 117.453 -1.699 . . . . 0.0 113.267 -175.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.711 ' HA ' HG21 ' A' ' 28' ' ' ILE . 3.3 tm0? -33.26 161.88 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 112.749 -2.023 . . . . 0.0 112.415 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' A' ' 107' ' ' GLN . 23.0 mtpp -57.19 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 109.536 -3.484 . . . . 0.0 112.557 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 109' ' ' ILE . 2.3 mp -95.73 -122.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 110.804 -2.907 . . . . 0.0 109.517 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.682 ' N ' HG22 ' A' ' 109' ' ' ILE . . . -130.25 -102.78 0.99 Allowed Glycine 0 C--N 1.346 1.087 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.55 -83.52 0.22 Allowed 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 112.998 -1.601 . . . . 0.0 109.571 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-N 113.187 -1.824 . . . . 0.0 109.528 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.854 ' O ' HG22 ' B' ' 1' ' ' THR . 0.9 OUTLIER -73.53 84.98 1.54 Allowed 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 125.202 1.564 . . . . 0.0 109.086 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PTR . . . . . 0.558 ' O3P' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.917 ' HG3' HD22 ' A' ' 61' ' ' LEU . 2.2 mm-40 -52.06 168.31 0.1 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 111.261 -2.699 . . . . 0.0 107.958 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.431 ' O ' ' N ' ' B' ' 6' ' ' NH2 . 1.0 OUTLIER -104.36 112.59 25.69 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 117.216 -1.794 . . . . 0.0 110.441 -178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.872 HD13 HG21 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -68.04 74.69 0.21 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 110.221 -3.172 . . . . 0.0 109.692 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' NH2 . . . . . 0.431 ' N ' ' O ' ' B' ' 4' ' ' THR . . . . . . . . 0 C--N 1.345 0.398 0 CA-C-N 113.196 -1.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_