data_2m6h_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 2m6h _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 core ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.649 0.737 . . . . 75.519999999999996 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.219999999999999 112.288 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.604 0.716 . . . . 74.109999999999999 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.129999999999995 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 70.329999999999998 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.653 0.74 . . . . 74.230000000000004 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 75.010000000000005 112.352 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.616 0.722 . . . . 74.329999999999998 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.129999999999995 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.019999999999996 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.677 0.751 . . . . 73.430000000000007 110.872 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.049999999999997 112.362 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.618 0.723 . . . . 75.310000000000002 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.230000000000004 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.549999999999997 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.655 0.741 . . . . 71.150000000000006 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.219999999999999 112.319 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 73.540000000000006 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 72.519999999999996 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.209999999999994 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.682 0.753 . . . . 72.319999999999993 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.409999999999997 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 74.049999999999997 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 72.230000000000004 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.698 0.761 . . . . 74.150000000000006 110.851 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 65.439999999999998 112.308 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.589 0.709 . . . . 71.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.439999999999998 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.599 0.714 . . . . 73.340000000000003 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 72.329999999999998 112.356 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.623 0.725 . . . . 75.129999999999995 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.140000000000001 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 74.140000000000001 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.602 0.715 . . . . 71.319999999999993 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.010000000000005 112.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.568 0.699 . . . . 72.319999999999993 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.150000000000006 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.599 0.714 . . . . 72.420000000000002 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 72.439999999999998 112.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.633 0.73 . . . . 74.450000000000003 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.209999999999994 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.150000000000006 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.607 0.717 . . . . 71.549999999999997 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 74.230000000000004 112.364 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.582 0.706 . . . . 73.530000000000001 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 75.400000000000006 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.340000000000003 110.837 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 73.129999999999995 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -112.8 154.96 44.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.649 0.737 . . . . 75.519999999999996 110.855 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.219999999999999 112.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.49 78.81 75.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 74.109999999999999 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.129999999999995 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 70.329999999999998 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.521 -0.231 . . . . 72.019999999999996 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 m -112.86 154.98 44.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.653 0.74 . . . . 74.230000000000004 110.873 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 109.72 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 75.010000000000005 112.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -129.51 78.82 74.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 114.974 -1.012 . . . . 74.329999999999998 110.852 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.129999999999995 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.019999999999996 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.467 -0.253 . . . . 51.020000000000003 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -112.99 154.97 44.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 73.430000000000007 110.872 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.8 109.66 2.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.049999999999997 112.362 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.37 78.77 75.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.007 -0.997 . . . . 75.310000000000002 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.230000000000004 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.549999999999997 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 73.140000000000001 112.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -113.0 154.94 44.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 71.150000000000006 110.847 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.219999999999999 112.319 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.43 78.87 74.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.978 -1.01 . . . . 73.540000000000006 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 72.519999999999996 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.209999999999994 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.522 -0.231 . . . . 65.099999999999994 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m -112.79 154.93 44.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 72.319999999999993 110.856 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.76 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.409999999999997 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.49 78.84 74.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 114.994 -1.003 . . . . 74.049999999999997 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 72.230000000000004 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 74.209999999999994 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m -112.81 154.96 44.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.698 0.761 . . . . 74.150000000000006 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo -69.74 109.72 2.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 65.439999999999998 112.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -129.5 78.82 74.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.995 . . . . 71.540000000000006 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.439999999999998 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 75.120000000000005 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -113.15 154.92 45.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 73.340000000000003 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.75 109.68 2.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 72.329999999999998 112.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -129.42 78.74 75.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.017 -0.992 . . . . 75.129999999999995 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.140000000000001 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 74.140000000000001 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.476 -0.25 . . . . 54.340000000000003 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m -112.92 154.96 44.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.602 0.715 . . . . 71.319999999999993 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.81 109.76 2.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.010000000000005 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.53 78.73 75.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.001 -0.999 . . . . 72.319999999999993 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.150000000000006 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.441 -0.264 . . . . 71.329999999999998 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m -112.77 154.95 44.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 72.420000000000002 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo -69.78 109.77 2.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 72.439999999999998 112.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -129.49 78.82 74.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 114.99 -1.005 . . . . 74.450000000000003 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.209999999999994 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 71.150000000000006 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 72.319999999999993 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m -113.63 155.44 44.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 71.549999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.19 2.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 74.230000000000004 112.364 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.55 81.3 60.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 73.530000000000001 110.838 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 75.400000000000006 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.340000000000003 110.837 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.649 0.737 . . . . 73.33 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.22 112.288 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.604 0.716 . . . . 74.11 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.13 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 52.34 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.653 0.74 . . . . 74.23 110.873 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 74.11 112.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.616 0.722 . . . . 74.33 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.13 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.04 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.677 0.751 . . . . 73.43 110.872 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.05 112.362 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.618 0.723 . . . . 75.31 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.23 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.655 0.741 . . . . 71.14 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.22 112.319 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 73.54 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 54.15 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.682 0.753 . . . . 61.41 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.41 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 74.05 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 71.34 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.698 0.761 . . . . 74.15 110.851 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 54.15 112.308 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.589 0.709 . . . . 71.54 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.44 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.599 0.714 . . . . 73.34 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 63.31 112.356 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.623 0.725 . . . . 74.14 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.14 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 52.0 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.602 0.715 . . . . 65.41 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.01 112.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.568 0.699 . . . . 72.32 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.15 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.42 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.599 0.714 . . . . 72.42 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 63.14 112.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.633 0.73 . . . . 53.1 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.21 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.607 0.717 . . . . 71.55 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 71.31 112.364 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.582 0.706 . . . . 73.53 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 71.15 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.14 110.837 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 45.03 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -112.8 154.96 44.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.649 0.737 . . . . 73.33 110.855 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.22 112.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.49 78.81 75.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 74.11 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.13 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 52.34 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.521 -0.231 . . . . 63.41 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m -112.86 154.98 44.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.653 0.74 . . . . 74.23 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.7 Cg_endo -69.8 109.72 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 74.11 112.352 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -129.51 78.82 74.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 114.974 -1.012 . . . . 74.33 110.852 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.13 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.04 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.467 -0.253 . . . . 51.02 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -112.99 154.97 44.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 73.43 110.872 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.8 109.66 2.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.05 112.362 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.37 78.77 75.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.007 -0.997 . . . . 75.31 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.23 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 73.14 112.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -113.0 154.94 44.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 71.14 110.847 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.22 112.319 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.43 78.87 74.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.978 -1.01 . . . . 73.54 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 54.15 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.522 -0.231 . . . . 64.14 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m -112.79 154.93 44.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 61.41 110.856 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.76 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.41 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.49 78.84 74.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 114.994 -1.003 . . . . 74.05 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 71.34 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 73.34 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m -112.81 154.96 44.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.698 0.761 . . . . 74.15 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo -69.74 109.72 2.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 54.15 112.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -129.5 78.82 74.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.995 . . . . 71.54 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.44 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 75.12 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -113.15 154.92 45.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 73.34 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.75 109.68 2.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 63.31 112.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -129.42 78.74 75.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.017 -0.992 . . . . 74.14 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.14 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 52.0 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.476 -0.25 . . . . 54.15 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m -112.92 154.96 44.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.602 0.715 . . . . 65.41 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.81 109.76 2.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.01 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.53 78.73 75.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.001 -0.999 . . . . 72.32 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.15 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.42 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.441 -0.264 . . . . 71.33 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m -112.77 154.95 44.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 72.42 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo -69.78 109.77 2.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 63.14 112.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -129.49 78.82 74.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 114.99 -1.005 . . . . 53.1 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.21 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 72.32 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m -113.63 155.44 44.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 71.55 110.879 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.19 2.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 71.31 112.364 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.55 81.3 60.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 73.53 110.838 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 71.15 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.14 110.837 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.649 0.737 . . . . 73.329999999999998 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.219999999999999 112.288 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.604 0.716 . . . . 74.109999999999999 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.129999999999995 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 52.340000000000003 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.653 0.74 . . . . 74.230000000000004 110.873 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 74.109999999999999 112.352 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.616 0.722 . . . . 74.329999999999998 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.129999999999995 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.019999999999996 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.677 0.751 . . . . 73.430000000000007 110.872 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.049999999999997 112.362 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.618 0.723 . . . . 75.310000000000002 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.230000000000004 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 61.350000000000001 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.655 0.741 . . . . 71.140000000000001 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.219999999999999 112.319 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 73.540000000000006 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 54.149999999999999 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.209999999999994 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.682 0.753 . . . . 61.409999999999997 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.409999999999997 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 74.049999999999997 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 71.340000000000003 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.698 0.761 . . . . 74.150000000000006 110.851 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 54.149999999999999 112.308 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.589 0.709 . . . . 71.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.439999999999998 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.599 0.714 . . . . 73.340000000000003 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 63.310000000000002 112.356 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.623 0.725 . . . . 74.140000000000001 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.140000000000001 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 52.0 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.602 0.715 . . . . 65.409999999999997 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.010000000000005 112.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.568 0.699 . . . . 72.319999999999993 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.150000000000006 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.599 0.714 . . . . 72.420000000000002 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 63.140000000000001 112.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.633 0.73 . . . . 53.100000000000001 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.209999999999994 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 64.299999999999997 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.607 0.717 . . . . 71.549999999999997 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 71.310000000000002 112.364 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.582 0.706 . . . . 73.530000000000001 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 71.150000000000006 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.140000000000001 110.837 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.511 -0.236 . . . . 45.030000000000001 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -112.8 154.96 44.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.649 0.737 . . . . 73.329999999999998 110.855 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.2 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 75.219999999999999 112.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.49 78.81 75.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.023 -0.99 . . . . 74.109999999999999 110.876 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 72.129999999999995 112.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -110.81 15.39 21.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.200000000000003 110.902 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 52.340000000000003 110.906 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.521 -0.231 . . . . 63.409999999999997 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m -112.86 154.98 44.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.653 0.74 . . . . 74.230000000000004 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.7 Cg_endo -69.8 109.72 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 74.109999999999999 112.352 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -129.51 78.82 74.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 114.974 -1.012 . . . . 74.329999999999998 110.852 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 65.129999999999995 112.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.7 t-105 -110.82 15.41 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.019999999999996 110.928 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.85 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.467 -0.253 . . . . 51.020000000000003 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -112.99 154.97 44.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 73.430000000000007 110.872 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.8 109.66 2.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 71.049999999999997 112.362 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.37 78.77 75.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.007 -0.997 . . . . 75.310000000000002 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.5 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.726 2.284 . . . . 74.230000000000004 112.359 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -110.93 15.48 21.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 61.350000000000001 110.88 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.882 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 73.140000000000001 112.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.7 m -113.0 154.94 44.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.741 . . . . 71.140000000000001 110.847 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.4 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.671 2.247 . . . . 73.219999999999999 112.319 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.43 78.87 74.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.978 -1.01 . . . . 73.540000000000006 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.55 23.88 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 54.149999999999999 112.287 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -110.96 15.43 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.209999999999994 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.0 110.913 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.522 -0.231 . . . . 64.140000000000001 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.9 m -112.79 154.93 44.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 61.409999999999997 110.856 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.76 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 72.409999999999997 112.361 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.49 78.84 74.95 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 114.994 -1.003 . . . . 74.049999999999997 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 71.340000000000003 112.367 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -110.86 15.4 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.886 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 73.340000000000003 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 13.0 m -112.81 154.96 44.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.698 0.761 . . . . 74.150000000000006 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 54.0 Cg_endo -69.74 109.72 2.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 54.149999999999999 112.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -129.5 78.82 74.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.01 -0.995 . . . . 71.540000000000006 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 75.439999999999998 112.39 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -110.85 15.45 21.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.913 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.89 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 75.120000000000005 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.8 m -113.15 154.92 45.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 73.340000000000003 110.884 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.8 Cg_endo -69.75 109.68 2.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 63.310000000000002 112.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -129.42 78.74 75.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.017 -0.992 . . . . 74.140000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 74.140000000000001 112.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -110.98 15.5 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 52.0 110.899 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.476 -0.25 . . . . 54.149999999999999 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.4 m -112.92 154.96 44.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.602 0.715 . . . . 65.409999999999997 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.6 Cg_endo -69.81 109.76 2.4 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.72 2.28 . . . . 74.010000000000005 112.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -129.53 78.73 75.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.001 -0.999 . . . . 72.319999999999993 110.881 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.49 23.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.655 2.237 . . . . 73.150000000000006 112.349 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -110.8 15.38 21.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 110.906 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.441 -0.264 . . . . 71.329999999999998 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 12.6 m -112.77 154.95 44.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 72.420000000000002 110.931 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 2' ' ' CYS . 53.5 Cg_endo -69.78 109.77 2.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.235 . . . . 63.140000000000001 112.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -129.49 78.82 74.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 114.99 -1.005 . . . . 53.100000000000001 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -8.47 23.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.631 2.22 . . . . 71.209999999999994 112.373 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -110.91 15.44 21.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 64.299999999999997 110.862 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 72.319999999999993 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 96.5 m -113.63 155.44 44.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 71.549999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 108.19 2.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 71.310000000000002 112.364 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.55 81.3 60.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.052 -0.976 . . . . 73.530000000000001 110.838 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.03 22.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 71.150000000000006 112.363 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -88.63 2.73 52.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.919 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.140000000000001 110.837 -179.973 . . . . . . . . 1 1 . 1 stop_ save_