data_2plp_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 2plp _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . . . -114.08 154.31 27.96 Favored 'General case' 0 C--O 1.24 0.586 1 N-CA-C 99.608 -4.219 . . . . 0.0 99.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . . . -120.56 150.54 40.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.381 0.61 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . . . -123.58 126.42 46.63 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -104.01 124.59 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -109.4 111.82 23.59 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -110.31 87.28 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 1.294 ' HA3' ' CA ' ' A' ' 14' ' ' GLY . . . -113.67 179.28 18.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 114.929 0.732 . . . . 0.0 114.929 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -85.34 -27.28 25.98 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . . . -116.13 -19.47 10.26 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -131.94 121.31 23.78 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . . . -129.78 147.64 51.57 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.417 0.627 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 1.31 ' HA3' ' CA ' ' A' ' 19' ' ' GLY . . . 164.05 -171.49 39.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -142.46 156.83 45.21 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 122.018 -0.695 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . . . -152.71 167.72 28.02 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -142.55 164.74 29.31 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.707 ' O ' ' HA ' ' A' ' 7' ' ' THR . . . -154.61 157.17 37.81 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.45 0.643 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -109.59 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.6 151.76 40.56 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.404 0.621 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -69.69 -24.65 27.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . . . -151.65 157.72 42.5 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.07 72.89 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.12 95.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.406 0.622 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . . . -60.8 -45.87 92.71 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.418 0.627 . . . . 0.0 109.79 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.32 83.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -52.55 -40.72 62.83 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.356 0.598 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -64.53 -40.79 96.26 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.423 0.63 . . . . 0.0 109.883 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . -64.55 -49.16 81.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . . . -60.81 -42.0 96.78 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -60.47 -45.56 93.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.428 0.633 . . . . 0.0 109.612 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . . . -58.11 -47.42 83.33 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -59.04 -53.14 61.72 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.354 0.597 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.02 66.49 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.452 0.644 . . . . 0.0 111.451 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . -58.37 -45.08 88.95 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.373 0.606 . . . . 0.0 109.861 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.74 -32.72 73.91 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -96.97 17.51 16.75 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 1.297 ' CA ' ' HA3' ' A' ' 43' ' ' GLY . . . 60.39 29.67 69.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 118.766 2.266 . . . . 0.0 118.766 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . . . -108.04 117.36 53.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . . . -128.82 137.93 51.78 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.315 ' CA ' ' HA3' ' A' ' 46' ' ' GLY . . . -179.85 -148.6 8.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.897 ' O ' ' HA ' ' A' ' 59' ' ' VAL . . . -100.78 132.88 45.96 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' HA ' ' O ' ' A' ' 58' ' ' THR . . . -102.48 135.69 43.64 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' A' ' 57' ' ' PHE . . . -133.89 148.69 51.27 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . . . -130.65 134.96 47.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.363 0.601 . . . . 0.0 111.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -120.67 113.46 20.26 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -67.77 -28.56 67.72 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 119.393 3.108 . . . . 0.0 119.393 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.19 77.35 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.4 0.619 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . . . -111.36 3.09 17.97 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.395 0.616 . . . . 0.0 112.623 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . 48.93 49.65 18.95 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.411 0.625 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . . . -120.73 132.89 55.3 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.622 ' HA ' ' O ' ' A' ' 49' ' ' THR . . . -109.44 140.56 43.02 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 102.464 -3.161 . . . . 0.0 102.464 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 48' ' ' TRP . . . -129.03 136.12 49.87 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.454 0.645 . . . . 0.0 109.742 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.897 ' HA ' ' O ' ' A' ' 47' ' ' GLU . . . -125.35 129.01 73.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-O 121.411 0.624 . . . . 0.0 109.369 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.582 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.686 ' HA ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . . . -114.08 154.31 27.96 Favored 'General case' 0 C--O 1.24 0.586 1 N-CA-C 99.608 -4.219 . . . . 0.0 99.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . . . -120.56 150.54 40.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.381 0.61 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . . . -123.58 126.42 46.63 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -104.01 124.59 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -109.4 111.82 23.59 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -110.31 87.28 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.67 179.28 18.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 114.929 0.732 . . . . 0.0 114.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -85.34 -27.28 25.98 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . . . -116.13 -19.47 10.26 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -131.94 121.31 23.78 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . . . -129.78 147.64 51.57 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.417 0.627 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.05 -171.49 39.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -142.46 156.83 45.21 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 122.018 -0.695 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . . . -152.71 167.72 28.02 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -142.55 164.74 29.31 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 7' ' ' THR . . . -154.61 157.17 37.81 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.45 0.643 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -109.59 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.6 151.76 40.56 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.404 0.621 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -69.69 -24.65 27.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . . . -151.65 157.72 42.5 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.07 72.89 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.12 95.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.406 0.622 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . . . -60.8 -45.87 92.71 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.418 0.627 . . . . 0.0 109.79 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.32 83.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -52.55 -40.72 62.83 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.356 0.598 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -64.53 -40.79 96.26 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.423 0.63 . . . . 0.0 109.883 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . -64.55 -49.16 81.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . . . -60.81 -42.0 96.78 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -60.47 -45.56 93.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.428 0.633 . . . . 0.0 109.612 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . . . -58.11 -47.42 83.33 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -59.04 -53.14 61.72 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.354 0.597 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.02 66.49 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.452 0.644 . . . . 0.0 111.451 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . -58.37 -45.08 88.95 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.373 0.606 . . . . 0.0 109.861 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.74 -32.72 73.91 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -96.97 17.51 16.75 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.39 29.67 69.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 118.766 2.266 . . . . 0.0 118.766 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . . . -108.04 117.36 53.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . . . -128.82 137.93 51.78 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.85 -148.6 8.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.881 ' O ' ' HA ' ' A' ' 59' ' ' VAL . . . -100.78 132.88 45.96 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' THR . . . -102.48 135.69 43.64 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.606 ' O ' ' HA ' ' A' ' 57' ' ' PHE . . . -133.89 148.69 51.27 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . . . -130.65 134.96 47.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.363 0.601 . . . . 0.0 111.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -120.67 113.46 20.26 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -67.77 -28.56 67.72 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 119.393 3.108 . . . . 0.0 119.393 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.19 77.35 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.4 0.619 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . . . -111.36 3.09 17.97 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.395 0.616 . . . . 0.0 112.623 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . 48.93 49.65 18.95 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.411 0.625 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . . . -120.73 132.89 55.3 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' O ' ' A' ' 49' ' ' THR . . . -109.44 140.56 43.02 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 102.464 -3.161 . . . . 0.0 102.464 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 48' ' ' TRP . . . -129.03 136.12 49.87 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.454 0.645 . . . . 0.0 109.742 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.881 ' HA ' ' O ' ' A' ' 47' ' ' GLU . . . -125.35 129.01 73.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-O 121.411 0.624 . . . . 0.0 109.369 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.582 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.686 ' HA ' ' O ' ' A' ' 23' ' ' THR . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . . . -114.08 154.31 27.96 Favored 'General case' 0 C--O 1.24 0.586 1 N-CA-C 99.608 -4.219 . . . . 0.0 99.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . . . -120.56 150.54 40.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.381 0.61 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . . . -123.58 126.42 46.63 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -104.01 124.59 58.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 1 N-CA-C 99.773 -4.158 . . . . 0.0 99.773 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -109.4 111.82 23.59 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . . . -110.31 87.28 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.67 179.28 18.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 114.929 0.732 . . . . 0.0 114.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -85.34 -27.28 25.98 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . . . -116.13 -19.47 10.26 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . . . -131.94 121.31 23.78 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . . . -129.78 147.64 51.57 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.417 0.627 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.05 -171.49 39.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . . . -142.46 156.83 45.21 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 122.018 -0.695 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . . . -152.71 167.72 28.02 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . . . -142.55 164.74 29.31 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 7' ' ' THR . . . -154.61 157.17 37.81 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.45 0.643 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . . . -109.59 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.6 151.76 40.56 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.404 0.621 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . . . -69.69 -24.65 27.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . . . -151.65 157.72 42.5 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.07 72.89 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.12 95.73 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.406 0.622 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . . . -60.8 -45.87 92.71 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.418 0.627 . . . . 0.0 109.79 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.32 83.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -52.55 -40.72 62.83 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.356 0.598 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . . . -64.53 -40.79 96.26 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 121.423 0.63 . . . . 0.0 109.883 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . . . -64.55 -49.16 81.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . . . -60.81 -42.0 96.78 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -60.47 -45.56 93.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.428 0.633 . . . . 0.0 109.612 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . . . -58.11 -47.42 83.33 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -59.04 -53.14 61.72 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.354 0.597 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.02 66.49 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.452 0.644 . . . . 0.0 111.451 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . . . -58.37 -45.08 88.95 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.373 0.606 . . . . 0.0 109.861 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.74 -32.72 73.91 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . . . -96.97 17.51 16.75 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.39 29.67 69.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 118.766 2.266 . . . . 0.0 118.766 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . . . -108.04 117.36 53.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . . . -128.82 137.93 51.78 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.85 -148.6 8.01 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.881 ' O ' ' HA ' ' A' ' 59' ' ' VAL . . . -100.78 132.88 45.96 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' THR . . . -102.48 135.69 43.64 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.606 ' O ' ' HA ' ' A' ' 57' ' ' PHE . . . -133.89 148.69 51.27 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . . . -130.65 134.96 47.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.363 0.601 . . . . 0.0 111.286 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -120.67 113.46 20.26 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -67.77 -28.56 67.72 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 119.393 3.108 . . . . 0.0 119.393 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.19 77.35 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.4 0.619 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . . . -111.36 3.09 17.97 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.395 0.616 . . . . 0.0 112.623 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . 48.93 49.65 18.95 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.411 0.625 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . . . -120.73 132.89 55.3 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' O ' ' A' ' 49' ' ' THR . . . -109.44 140.56 43.02 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 102.464 -3.161 . . . . 0.0 102.464 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 48' ' ' TRP . . . -129.03 136.12 49.87 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.454 0.645 . . . . 0.0 109.742 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.881 ' HA ' ' O ' ' A' ' 47' ' ' GLU . . . -125.35 129.01 73.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-O 121.411 0.624 . . . . 0.0 109.369 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.582 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -179.966 . . . . . . . . 0 0 . 1 stop_ save_