data_1gw3_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 1gw3 _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' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.979 0.895 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -48.13 166.21 0.13 Allowed 'Trans proline' 0 N--CA 1.527 3.461 1 C-N-CA 126.369 4.712 . . . . 0.0 114.864 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -113.31 -171.92 1.97 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.768 0.794 . . . . 0.0 111.032 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.78 -81.21 0.21 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.22 70.89 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.094 0.949 . . . . 0.0 111.21 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -156.1 -42.21 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.736 0.779 . . . . 0.0 111.059 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.73 -39.93 95.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.948 0.88 . . . . 0.0 110.896 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -12.42 16.09 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.98 -27.73 66.83 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.433 -0.792 . . . . 0.0 111.309 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -58.11 -30.96 66.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.91 0.862 . . . . 0.0 110.88 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.24 -29.07 53.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.672 0.749 . . . . 0.0 111.215 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.43 36.56 1.24 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.615 0.722 . . . . 0.0 111.274 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.55 -41.82 0.86 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.62 0.724 . . . . 0.0 111.159 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.534 ' NE2' HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -90.34 -4.91 56.8 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 176.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.534 HG21 ' NE2' ' A' ' 14' ' ' HIS . 4.0 t -85.93 -32.93 7.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 121.253 -0.904 . . . . 0.0 111.057 177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -32.2 71.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.783 0.802 . . . . 0.0 110.963 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.88 -31.07 45.36 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.765 0.793 . . . . 0.0 111.033 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -47.43 63.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.71 0.767 . . . . 0.0 111.039 172.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.15 -43.47 95.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.649 0.738 . . . . 0.0 111.097 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -66.63 -36.87 83.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.791 0.805 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -34.87 77.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.65 0.738 . . . . 0.0 111.033 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 51.92 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.924 0.869 . . . . 0.0 110.967 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.818 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . . . -71.29 -62.52 1.77 Allowed Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 122.001 0.905 . . . . 0.0 110.942 172.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.818 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 72.4 Cg_endo -73.73 -16.49 23.64 Favored 'Trans proline' 0 N--CA 1.53 3.64 1 C-N-CA 125.895 4.397 . . . . 0.0 115.92 177.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -89.08 71.55 8.4 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.49 -0.756 . . . . 0.0 110.93 175.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -144.75 -49.35 0.26 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.771 0.796 . . . . 0.0 111.001 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.91 -36.59 49.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.685 0.755 . . . . 0.0 111.099 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -57.18 12.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.757 0.789 . . . . 0.0 110.909 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 6.9 mt -65.84 -36.96 84.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.97 74.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -65.51 -29.22 69.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.666 0.746 . . . . 0.0 111.034 -173.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -73.58 -37.86 65.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 175.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 9.4 mt -93.19 7.36 44.6 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.8 -29.86 17.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.398 -0.814 . . . . 0.0 111.447 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.78 -28.9 11.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.537 0.684 . . . . 0.0 111.357 -173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -64.99 -35.26 80.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.745 0.783 . . . . 0.0 111.241 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.593 ' CD2' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -94.33 37.37 1.11 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.585 0.707 . . . . 0.0 111.636 -171.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.7 35.86 2.43 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.856 0.836 . . . . 0.0 110.904 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -162.15 -53.38 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.773 0.796 . . . . 0.0 110.957 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.49 -64.63 0.85 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.96 0.886 . . . . 0.0 111.031 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -91.19 -23.31 20.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.411 0.624 . . . . 0.0 111.391 -171.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.12 80.57 0.23 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.851 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -51.65 -48.09 63.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.784 0.802 . . . . 0.0 110.911 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.73 -118.08 4.23 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.33 -165.83 21.75 Favored Glycine 0 C--N 1.32 -0.361 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.033 0.921 . . . . 0.0 111.015 -174.037 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.979 0.895 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -48.13 166.21 0.13 Allowed 'Trans proline' 0 N--CA 1.527 3.461 1 C-N-CA 126.369 4.712 . . . . 0.0 114.864 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -113.31 -171.92 1.97 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.768 0.794 . . . . 0.0 111.032 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 5' ' ' GLU . . . -131.78 -81.21 0.21 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -178.22 70.89 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.094 0.949 . . . . 0.0 111.21 -175.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -156.1 -42.21 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.736 0.779 . . . . 0.0 111.059 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.73 -39.93 95.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.948 0.88 . . . . 0.0 110.896 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -12.42 16.09 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.98 -27.73 66.83 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.433 -0.792 . . . . 0.0 111.309 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -58.11 -30.96 66.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.91 0.862 . . . . 0.0 110.88 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.24 -29.07 53.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.672 0.749 . . . . 0.0 111.215 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.43 36.56 1.24 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.615 0.722 . . . . 0.0 111.274 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.55 -41.82 0.86 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.62 0.724 . . . . 0.0 111.159 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' NE2' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -90.34 -4.91 56.8 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 176.11 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' NE2' ' A' ' 14' ' ' HIS . 4.0 t -85.93 -32.93 7.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 121.253 -0.904 . . . . 0.0 111.057 177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -32.2 71.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.783 0.802 . . . . 0.0 110.963 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.88 -31.07 45.36 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.765 0.793 . . . . 0.0 111.033 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -47.43 63.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.71 0.767 . . . . 0.0 111.039 172.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.15 -43.47 95.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.649 0.738 . . . . 0.0 111.097 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -66.63 -36.87 83.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.791 0.805 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -34.87 77.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.65 0.738 . . . . 0.0 111.033 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 51.92 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.924 0.869 . . . . 0.0 110.967 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.822 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -71.29 -62.52 1.77 Allowed Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 122.001 0.905 . . . . 0.0 110.942 172.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.822 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 72.4 Cg_endo -73.73 -16.49 23.64 Favored 'Trans proline' 0 N--CA 1.53 3.64 1 C-N-CA 125.895 4.397 . . . . 0.0 115.92 177.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -89.08 71.55 8.4 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.49 -0.756 . . . . 0.0 110.93 175.219 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -144.75 -49.35 0.26 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.771 0.796 . . . . 0.0 111.001 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.91 -36.59 49.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.685 0.755 . . . . 0.0 111.099 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -57.18 12.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.757 0.789 . . . . 0.0 110.909 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 6.9 mt -65.84 -36.96 84.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.97 74.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -65.51 -29.22 69.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.666 0.746 . . . . 0.0 111.034 -173.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -73.58 -37.86 65.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 175.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 9.4 mt -93.19 7.36 44.6 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.8 -29.86 17.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.398 -0.814 . . . . 0.0 111.447 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.78 -28.9 11.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.537 0.684 . . . . 0.0 111.357 -173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -64.99 -35.26 80.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.745 0.783 . . . . 0.0 111.241 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD23 ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -94.33 37.37 1.11 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.585 0.707 . . . . 0.0 111.636 -171.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.7 35.86 2.43 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.856 0.836 . . . . 0.0 110.904 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -162.15 -53.38 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.773 0.796 . . . . 0.0 110.957 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.49 -64.63 0.85 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.96 0.886 . . . . 0.0 111.031 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -91.19 -23.31 20.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.411 0.624 . . . . 0.0 111.391 -171.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.12 80.57 0.23 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.851 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -51.65 -48.09 63.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.784 0.802 . . . . 0.0 110.911 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.73 -118.08 4.23 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.33 -165.83 21.75 Favored Glycine 0 C--N 1.32 -0.361 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.033 0.921 . . . . 0.0 111.015 -174.037 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.979 0.895 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -48.13 166.21 0.13 Allowed 'Trans proline' 0 N--CA 1.527 3.461 1 C-N-CA 126.369 4.712 . . . . 0.0 114.864 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -113.31 -171.92 1.97 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.768 0.794 . . . . 0.0 111.032 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 5' ' ' GLU . . . -131.78 -81.21 0.21 Allowed Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -178.22 70.89 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.094 0.949 . . . . 0.0 111.21 -175.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -156.1 -42.21 0.08 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.736 0.779 . . . . 0.0 111.059 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.73 -39.93 95.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.948 0.88 . . . . 0.0 110.896 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -12.42 16.09 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.98 -27.73 66.83 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.433 -0.792 . . . . 0.0 111.309 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -58.11 -30.96 66.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.91 0.862 . . . . 0.0 110.88 172.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.24 -29.07 53.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.672 0.749 . . . . 0.0 111.215 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -95.43 36.56 1.24 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.615 0.722 . . . . 0.0 111.274 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.55 -41.82 0.86 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.62 0.724 . . . . 0.0 111.159 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' NE2' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -90.34 -4.91 56.8 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 176.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' NE2' ' A' ' 14' ' ' HIS . 4.0 t -85.93 -32.93 7.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 121.253 -0.904 . . . . 0.0 111.057 177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -32.2 71.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.783 0.802 . . . . 0.0 110.963 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.88 -31.07 45.36 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.765 0.793 . . . . 0.0 111.033 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -47.43 63.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.71 0.767 . . . . 0.0 111.039 172.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.15 -43.47 95.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.649 0.738 . . . . 0.0 111.097 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -66.63 -36.87 83.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.791 0.805 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -34.87 77.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.65 0.738 . . . . 0.0 111.033 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.38 51.92 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.924 0.869 . . . . 0.0 110.967 -177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.822 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -71.29 -62.52 1.77 Allowed Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 122.001 0.905 . . . . 0.0 110.942 172.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.822 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 72.4 Cg_endo -73.73 -16.49 23.64 Favored 'Trans proline' 0 N--CA 1.53 3.64 1 C-N-CA 125.895 4.397 . . . . 0.0 115.92 177.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -89.08 71.55 8.4 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.49 -0.756 . . . . 0.0 110.93 175.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -144.75 -49.35 0.26 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.771 0.796 . . . . 0.0 111.001 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.91 -36.59 49.33 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.685 0.755 . . . . 0.0 111.099 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -57.18 12.89 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.757 0.789 . . . . 0.0 110.909 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 6.9 mt -65.84 -36.96 84.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.774 0.797 . . . . 0.0 110.988 -173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.97 74.51 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -65.51 -29.22 69.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.666 0.746 . . . . 0.0 111.034 -173.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -73.58 -37.86 65.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 175.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 9.4 mt -93.19 7.36 44.6 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.8 -29.86 17.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.398 -0.814 . . . . 0.0 111.447 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.78 -28.9 11.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.537 0.684 . . . . 0.0 111.357 -173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -64.99 -35.26 80.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.745 0.783 . . . . 0.0 111.241 177.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD23 ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -94.33 37.37 1.11 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.585 0.707 . . . . 0.0 111.636 -171.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.7 35.86 2.43 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.856 0.836 . . . . 0.0 110.904 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -162.15 -53.38 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.773 0.796 . . . . 0.0 110.957 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.49 -64.63 0.85 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.96 0.886 . . . . 0.0 111.031 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -91.19 -23.31 20.27 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.411 0.624 . . . . 0.0 111.391 -171.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.12 80.57 0.23 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.877 0.846 . . . . 0.0 110.851 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -51.65 -48.09 63.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.784 0.802 . . . . 0.0 110.911 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.73 -118.08 4.23 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.33 -165.83 21.75 Favored Glycine 0 C--N 1.32 -0.361 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.137 0 CA-C-O 122.033 0.921 . . . . 0.0 111.015 -174.037 . . . . . . . . 0 0 . 1 stop_ save_