data_1r7e_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 1r7e _Structure_validation_residue.Date_analyzed 2016-10-07 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 . . . . . . . . . . . . . 59.9 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.091 0.472 . . . . 8.5800000000000001 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.47 -62.03 3.41 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.359 -1.496 . . . . 5.3399999999999999 109.359 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m 54.04 27.26 7.29 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.773 -0.84 . . . . 4.5599999999999996 111.307 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -46.1 1.93 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.158 -0.964 . . . . 6.7199999999999998 110.255 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' HB3' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -57.22 -38.27 73.49 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.531 -0.731 . . . . 5.2300000000000004 110.202 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -58.24 -41.88 85.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.574 -0.704 . . . . 7.0300000000000002 109.839 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -37.33 83.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.645 -0.659 . . . . 3.8399999999999999 109.522 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.04 -44.93 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.782 . . . . 3.8900000000000001 109.437 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.516 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 32.9 m0 -62.86 -30.71 71.71 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.334 -0.854 . . . . 6.8099999999999996 109.94 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.42 -47.44 85.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 3.7000000000000002 110.933 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -90.78 -26.86 19.25 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.215 -0.928 . . . . 5.4100000000000001 110.965 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.21 -51.46 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.108 -0.995 . . . . 3.77 109.677 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 t -63.66 -38.32 90.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.495 -0.753 . . . . 3.4399999999999999 110.197 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.52 -52.54 63.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.483 -0.761 . . . . 4.7400000000000002 110.058 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.65 -39.15 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.459 -0.776 . . . . 3.8500000000000001 109.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.81 -40.2 91.62 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 3.9500000000000002 110.21 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -62.67 -43.38 98.97 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.484 -0.76 . . . . 3.48 110.3 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.86 -44.36 94.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.511 -0.743 . . . . 4.1200000000000001 109.804 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.78 -34.1 77.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.556 -0.715 . . . . 5.25 110.051 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -44.5 94.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.542 -0.724 . . . . 5.5599999999999996 109.537 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -64.13 -41.89 97.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.575 -0.703 . . . . 3.7200000000000002 109.388 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.467 ' CH2' ' HE2' ' A' ' 26' ' ' LYS . 77.9 t90 -63.62 -44.11 94.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.671 -0.643 . . . . 4.8099999999999996 109.942 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -47.35 59.73 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.529 -0.732 . . . . 4.1399999999999997 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.08 -31.69 72.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 5.7400000000000002 110.649 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.23 75.02 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.816 . . . . 3.1699999999999999 110.737 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE2' ' CH2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -109.8 15.27 22.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.307 -0.871 . . . . 5.7999999999999998 111.314 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -122.0 44.16 2.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.049 -1.032 . . . . 6.29 110.581 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.42 67.71 72.34 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.239 -0.913 . . . . 6.2999999999999998 110.002 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.09 -45.3 0.37 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.763 1.402 . . . . 4.8300000000000001 111.035 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -135.3 122.87 22.1 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 8.5899999999999999 110.093 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.843 -1.075 . . . . 7.5300000000000002 110.415 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.091 0.472 . . . . 8.2 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.47 -62.03 3.41 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.359 -1.496 . . . . 5.09 109.359 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m 54.04 27.26 7.29 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.773 -0.84 . . . . 4.1 111.307 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -46.1 1.93 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.158 -0.964 . . . . 5.94 110.255 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -57.22 -38.27 73.49 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.531 -0.731 . . . . 4.85 110.202 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -58.24 -41.88 85.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.574 -0.704 . . . . 6.46 109.839 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -37.33 83.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.645 -0.659 . . . . 3.84 109.522 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 5' ' ' LEU . 59.5 mt -63.04 -44.93 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.782 . . . . 3.53 109.437 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 32.9 m0 -62.86 -30.71 71.71 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.334 -0.854 . . . . 6.0 109.94 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.42 -47.44 85.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 3.7 110.933 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' HA ' ' A' ' 8' ' ' ILE . 12.7 p-90 -90.78 -26.86 19.25 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.215 -0.928 . . . . 4.77 110.965 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.21 -51.46 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.108 -0.995 . . . . 3.37 109.677 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 t -63.66 -38.32 90.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.495 -0.753 . . . . 3.11 110.197 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.52 -52.54 63.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.483 -0.761 . . . . 4.74 110.058 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.65 -39.15 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.459 -0.776 . . . . 3.4 109.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.81 -40.2 91.62 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 3.53 110.21 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -62.67 -43.38 98.97 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.484 -0.76 . . . . 3.06 110.3 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.86 -44.36 94.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.511 -0.743 . . . . 4.12 109.804 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.78 -34.1 77.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.556 -0.715 . . . . 4.63 110.051 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -44.5 94.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.542 -0.724 . . . . 5.18 109.537 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -64.13 -41.89 97.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.575 -0.703 . . . . 3.24 109.388 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.472 ' CH2' ' HE2' ' A' ' 26' ' ' LYS . 77.9 t90 -63.62 -44.11 94.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.671 -0.643 . . . . 4.21 109.942 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -47.35 59.73 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.529 -0.732 . . . . 3.69 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.08 -31.69 72.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 5.39 110.649 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.23 75.02 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.816 . . . . 2.89 110.737 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' CH2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -109.8 15.27 22.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.307 -0.871 . . . . 5.46 111.314 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -122.0 44.16 2.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.049 -1.032 . . . . 5.79 110.581 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.42 67.71 72.34 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.239 -0.913 . . . . 5.85 110.002 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.09 -45.3 0.37 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.763 1.402 . . . . 4.07 111.035 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -135.3 122.87 22.1 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 7.93 110.093 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.843 -1.075 . . . . 7.5 110.415 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.091 0.472 . . . . 8.2 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.47 -62.03 3.41 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.359 -1.496 . . . . 5.09 109.359 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m 54.04 27.26 7.29 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.773 -0.84 . . . . 4.1 111.307 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.36 -46.1 1.93 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.158 -0.964 . . . . 5.94 110.255 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -57.22 -38.27 73.49 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.531 -0.731 . . . . 4.85 110.202 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -58.24 -41.88 85.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.574 -0.704 . . . . 6.46 109.839 179.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -37.33 83.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.645 -0.659 . . . . 3.84 109.522 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 5' ' ' LEU . 59.5 mt -63.04 -44.93 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.782 . . . . 3.53 109.437 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 32.9 m0 -62.86 -30.71 71.71 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.334 -0.854 . . . . 6.0 109.94 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.42 -47.44 85.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 3.7 110.933 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' HA ' ' A' ' 8' ' ' ILE . 12.7 p-90 -90.78 -26.86 19.25 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.215 -0.928 . . . . 4.77 110.965 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.21 -51.46 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.108 -0.995 . . . . 3.37 109.677 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 t -63.66 -38.32 90.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.495 -0.753 . . . . 3.11 110.197 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.52 -52.54 63.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.483 -0.761 . . . . 4.74 110.058 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.65 -39.15 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.459 -0.776 . . . . 3.4 109.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -65.81 -40.2 91.62 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 3.53 110.21 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -62.67 -43.38 98.97 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.484 -0.76 . . . . 3.06 110.3 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.86 -44.36 94.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.511 -0.743 . . . . 4.12 109.804 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -66.78 -34.1 77.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.556 -0.715 . . . . 4.63 110.051 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -44.5 94.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.542 -0.724 . . . . 5.18 109.537 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 m -64.13 -41.89 97.04 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.575 -0.703 . . . . 3.24 109.388 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.472 ' CH2' ' HE2' ' A' ' 26' ' ' LYS . 77.9 t90 -63.62 -44.11 94.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.671 -0.643 . . . . 4.21 109.942 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -47.35 59.73 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.529 -0.732 . . . . 3.69 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.08 -31.69 72.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.385 -0.822 . . . . 5.39 110.649 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.23 75.02 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.816 . . . . 2.89 110.737 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' CH2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -109.8 15.27 22.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.307 -0.871 . . . . 5.46 111.314 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -122.0 44.16 2.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.049 -1.032 . . . . 5.79 110.581 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.42 67.71 72.34 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.239 -0.913 . . . . 5.85 110.002 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.09 -45.3 0.37 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.763 1.402 . . . . 4.07 111.035 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -135.3 122.87 22.1 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 7.93 110.093 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.843 -1.075 . . . . 7.5 110.415 -179.947 . . . . . . . . 1 1 . 1 stop_ save_