data_2l7t_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 2l7t _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.856 0.36 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.93 165.55 15.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 5' ' ' TRP . 12.9 tp -121.56 138.38 28.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 10.2 Cg_endo -51.96 -27.61 28.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.779 2.32 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.463 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 32.1 p90 -133.93 -176.02 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -51.83 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.84 37.46 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.9 tt -95.53 -31.09 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' HB2' ' CE2' ' A' ' 5' ' ' TRP . 2.7 m-20 -155.37 89.02 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.7 37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.431 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -110.28 -28.78 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 5' ' ' TRP . 12.4 tp -57.3 137.81 80.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.224 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.458 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.5 Cg_endo -52.59 -27.4 32.75 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.792 2.328 . . . . 0.0 112.452 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 33.5 p90 -135.41 -175.62 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.02 -46.82 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -148.34 34.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.05 -33.25 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.75 37.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.35 47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.561 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.764 0.316 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -148.55 104.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 5' ' ' TRP . 15.9 tp -123.87 136.89 27.95 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 8.8 Cg_endo -50.67 -27.58 20.11 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 36.1 p90 -135.3 149.95 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -84.49 60.84 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 53.81 85.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.26 -29.61 48.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -82.73 -32.92 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.18 -34.83 28.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.494 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 58.77 27.11 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.6 tp -136.86 139.05 27.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 5.8 Cg_endo -47.97 -26.32 7.36 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.792 2.328 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.437 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 35.4 p90 -133.14 159.36 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.51 -66.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -100.44 135.93 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.13 52.38 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.09 52.25 10.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.9 42.57 10.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.769 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.08 104.83 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' A' ' 5' ' ' TRP . 13.7 tp -111.99 139.47 22.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 7.2 Cg_endo -49.51 -26.06 11.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.748 2.299 . . . . 0.0 112.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.434 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 33.1 p90 -133.45 166.89 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.47 -39.15 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -138.05 53.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.3 tt -90.27 -30.61 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.13 86.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.43 38.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.483 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.888 0.375 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -162.43 43.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 5' ' ' TRP . 14.1 tp -76.94 138.89 65.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 6.4 Cg_endo -48.82 -26.32 9.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.81 2.34 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 34.2 p90 -131.56 149.57 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.24 96.12 6.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 60.28 75.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -82.94 -31.71 27.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -130.36 31.45 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.2 31.9 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.523 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.92 148.19 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 5' ' ' TRP . 13.9 tp -128.49 139.2 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 7.6 Cg_endo -49.53 -26.1 11.9 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.771 2.314 . . . . 0.0 112.396 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 34.7 p90 -137.07 138.99 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.002 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 -52.94 28.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -149.52 92.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.01 -33.92 8.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -68.61 -32.29 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.5 tp -113.33 68.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.284 -1.287 . . . . 0.0 112.422 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.75 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 5' ' ' TRP . 9.9 tp -120.19 137.02 25.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.4 Cg_endo -50.8 -25.03 14.53 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.776 2.317 . . . . 0.0 112.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD1' HD22 ' A' ' 3' ' ' LEU . 32.6 p90 -138.91 -176.37 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.86 -48.64 2.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.86 77.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tt -101.51 -31.69 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -16.95 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.86 39.69 2.54 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.527 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -178.13 84.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp -94.76 138.81 22.1 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 8.5 Cg_endo -50.58 -25.0 13.66 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.744 2.296 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.439 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 31.6 p90 -140.24 168.56 19.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -136.86 13.79 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 177.94 39.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.06 -25.48 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.81 32.09 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -111.34 -32.98 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.412 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -116.72 113.4 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 5' ' ' TRP . 14.4 tp -131.86 138.06 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.6 Cg_endo -51.22 -25.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.725 2.284 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 33.0 p90 -137.99 -175.54 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.19 -51.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -132.45 30.88 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.77 -32.34 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.07 31.38 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -31.76 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.856 0.36 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.93 165.55 15.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 5' ' ' TRP . 12.9 tp -121.56 138.38 28.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 10.2 Cg_endo -51.96 -27.61 28.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.779 2.32 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 3' ' ' LEU . 32.1 p90 -133.93 -176.02 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -51.83 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.84 37.46 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.9 tt -95.53 -31.09 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 2.7 m-20 -155.37 89.02 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.7 37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.431 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -110.28 -28.78 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 5' ' ' TRP . 12.4 tp -57.3 137.81 80.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.224 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.5 Cg_endo -52.59 -27.4 32.75 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.792 2.328 . . . . 0.0 112.452 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.602 ' O ' HD23 ' A' ' 3' ' ' LEU . 33.5 p90 -135.41 -175.62 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.02 -46.82 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -148.34 34.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.4 tp -78.05 -33.25 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.75 37.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.35 47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.561 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.764 0.316 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -148.55 104.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 5' ' ' TRP . 15.9 tp -123.87 136.89 27.95 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.548 ' HD2' HD12 ' A' ' 3' ' ' LEU . 8.8 Cg_endo -50.67 -27.58 20.11 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.793 ' O ' HD23 ' A' ' 3' ' ' LEU . 36.1 p90 -135.3 149.95 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -84.49 60.84 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE2' HD12 ' A' ' 10' ' ' LEU . 4.6 mm-40 53.81 85.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 9' ' ' ASP . 4.6 pp -78.26 -29.61 48.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.548 ' N ' HD12 ' A' ' 8' ' ' LEU . 13.6 t70 -82.73 -32.92 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' OE2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -82.18 -34.83 28.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.494 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 58.77 27.11 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 4' ' ' PRO . 13.6 tp -136.86 139.05 27.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' A' ' 3' ' ' LEU . 5.8 Cg_endo -47.97 -26.32 7.36 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.792 2.328 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 35.4 p90 -133.14 159.36 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.51 -66.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -100.44 135.93 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -87.13 52.38 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.924 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.09 52.25 10.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.9 42.57 10.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.769 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.08 104.83 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.527 HD21 ' NE1' ' A' ' 5' ' ' TRP . 13.7 tp -111.99 139.47 22.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HD2' HD12 ' A' ' 3' ' ' LEU . 7.2 Cg_endo -49.51 -26.06 11.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.748 2.299 . . . . 0.0 112.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.527 ' NE1' HD21 ' A' ' 3' ' ' LEU . 33.1 p90 -133.45 166.89 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.47 -39.15 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' HB2' HD11 ' A' ' 10' ' ' LEU . 9.9 pt-20 -138.05 53.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.3 tt -90.27 -30.61 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.13 86.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -99.43 38.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.483 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.888 0.375 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -162.43 43.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 HD21 ' NE1' ' A' ' 5' ' ' TRP . 14.1 tp -76.94 138.89 65.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 3' ' ' LEU . 6.4 Cg_endo -48.82 -26.32 9.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.81 2.34 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.503 ' NE1' HD21 ' A' ' 3' ' ' LEU . 34.2 p90 -131.56 149.57 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.24 96.12 6.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 60.28 75.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -82.94 -31.71 27.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -130.36 31.45 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.2 31.9 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.523 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.92 148.19 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 5' ' ' TRP . 13.9 tp -128.49 139.2 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' A' ' 3' ' ' LEU . 7.6 Cg_endo -49.53 -26.1 11.9 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.771 2.314 . . . . 0.0 112.396 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 3' ' ' LEU . 34.7 p90 -137.07 138.99 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.002 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 -52.94 28.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -149.52 92.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.01 -33.92 8.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -68.61 -32.29 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 10' ' ' LEU . 17.5 tp -113.33 68.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.284 -1.287 . . . . 0.0 112.422 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.75 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 5' ' ' TRP . 9.9 tp -120.19 137.02 25.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.4 Cg_endo -50.8 -25.03 14.53 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.776 2.317 . . . . 0.0 112.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 3' ' ' LEU . 32.6 p90 -138.91 -176.37 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.86 -48.64 2.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.86 77.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 5' ' ' TRP . 1.6 tt -101.51 -31.69 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -16.95 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.86 39.69 2.54 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.527 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -178.13 84.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 5' ' ' TRP . 14.0 tp -94.76 138.81 22.1 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HD2' HD12 ' A' ' 3' ' ' LEU . 8.5 Cg_endo -50.58 -25.0 13.66 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.744 2.296 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.566 ' O ' HD23 ' A' ' 3' ' ' LEU . 31.6 p90 -140.24 168.56 19.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -136.86 13.79 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 177.94 39.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.06 -25.48 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.81 32.09 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -111.34 -32.98 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.412 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -116.72 113.4 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 4' ' ' PRO . 14.4 tp -131.86 138.06 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 3' ' ' LEU . 9.6 Cg_endo -51.22 -25.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.725 2.284 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 33.0 p90 -137.99 -175.54 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.19 -51.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -132.45 30.88 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.8 tt -74.77 -32.34 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.07 31.38 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -31.76 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.856 0.36 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.93 165.55 15.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 5' ' ' TRP . 12.9 tp -121.56 138.38 28.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 10.2 Cg_endo -51.96 -27.61 28.92 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.779 2.32 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 3' ' ' LEU . 32.1 p90 -133.93 -176.02 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -51.83 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.84 37.46 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.9 tt -95.53 -31.09 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 2.7 m-20 -155.37 89.02 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.7 37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.431 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -110.28 -28.78 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 5' ' ' TRP . 12.4 tp -57.3 137.81 80.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.224 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.5 Cg_endo -52.59 -27.4 32.75 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.792 2.328 . . . . 0.0 112.452 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.602 ' O ' HD23 ' A' ' 3' ' ' LEU . 33.5 p90 -135.41 -175.62 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.02 -46.82 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -148.34 34.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.4 tp -78.05 -33.25 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.75 37.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.35 47.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.561 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.764 0.316 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -148.55 104.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 5' ' ' TRP . 15.9 tp -123.87 136.89 27.95 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.548 ' HD2' HD12 ' A' ' 3' ' ' LEU . 8.8 Cg_endo -50.67 -27.58 20.11 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.705 2.27 . . . . 0.0 112.593 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.793 ' O ' HD23 ' A' ' 3' ' ' LEU . 36.1 p90 -135.3 149.95 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -84.49 60.84 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE2' HD12 ' A' ' 10' ' ' LEU . 4.6 mm-40 53.81 85.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 9' ' ' ASP . 4.6 pp -78.26 -29.61 48.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.548 ' N ' HD12 ' A' ' 8' ' ' LEU . 13.6 t70 -82.73 -32.92 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' OE2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -82.18 -34.83 28.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.494 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 58.77 27.11 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 4' ' ' PRO . 13.6 tp -136.86 139.05 27.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' A' ' 3' ' ' LEU . 5.8 Cg_endo -47.97 -26.32 7.36 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.792 2.328 . . . . 0.0 112.347 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 35.4 p90 -133.14 159.36 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -73.51 -66.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -100.44 135.93 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -87.13 52.38 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.924 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.09 52.25 10.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.9 42.57 10.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.769 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.08 104.83 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.527 HD21 ' NE1' ' A' ' 5' ' ' TRP . 13.7 tp -111.99 139.47 22.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.463 ' HD2' HD12 ' A' ' 3' ' ' LEU . 7.2 Cg_endo -49.51 -26.06 11.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.748 2.299 . . . . 0.0 112.313 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.527 ' NE1' HD21 ' A' ' 3' ' ' LEU . 33.1 p90 -133.45 166.89 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.47 -39.15 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.626 ' HB2' HD11 ' A' ' 10' ' ' LEU . 9.9 pt-20 -138.05 53.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 3.3 tt -90.27 -30.61 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.13 86.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -99.43 38.12 1.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.483 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.888 0.375 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -162.43 43.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 HD21 ' NE1' ' A' ' 5' ' ' TRP . 14.1 tp -76.94 138.89 65.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 3' ' ' LEU . 6.4 Cg_endo -48.82 -26.32 9.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.81 2.34 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.503 ' NE1' HD21 ' A' ' 3' ' ' LEU . 34.2 p90 -131.56 149.57 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.24 96.12 6.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 60.28 75.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.9 OUTLIER -82.94 -31.71 27.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -130.36 31.45 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.2 31.9 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.523 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.92 148.19 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 5' ' ' TRP . 13.9 tp -128.49 139.2 34.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HD2' HD12 ' A' ' 3' ' ' LEU . 7.6 Cg_endo -49.53 -26.1 11.9 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.771 2.314 . . . . 0.0 112.396 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 3' ' ' LEU . 34.7 p90 -137.07 138.99 40.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.002 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 -52.94 28.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -149.52 92.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.01 -33.92 8.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -68.61 -32.29 72.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 10' ' ' LEU . 17.5 tp -113.33 68.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.284 -1.287 . . . . 0.0 112.422 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.84 0.352 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.75 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 5' ' ' TRP . 9.9 tp -120.19 137.02 25.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CE3' ' A' ' 5' ' ' TRP . 9.4 Cg_endo -50.8 -25.03 14.53 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.776 2.317 . . . . 0.0 112.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 3' ' ' LEU . 32.6 p90 -138.91 -176.37 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.86 -48.64 2.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.86 77.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 5' ' ' TRP . 1.6 tt -101.51 -31.69 10.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -16.95 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.86 39.69 2.54 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.527 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.872 0.368 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -178.13 84.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 5' ' ' TRP . 14.0 tp -94.76 138.81 22.1 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HD2' HD12 ' A' ' 3' ' ' LEU . 8.5 Cg_endo -50.58 -25.0 13.66 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.744 2.296 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.566 ' O ' HD23 ' A' ' 3' ' ' LEU . 31.6 p90 -140.24 168.56 19.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -136.86 13.79 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 177.94 39.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -99.06 -25.48 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.81 32.09 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -111.34 -32.98 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.412 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.715 0.293 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -116.72 113.4 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 4' ' ' PRO . 14.4 tp -131.86 138.06 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 3' ' ' LEU . 9.6 Cg_endo -51.22 -25.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.725 2.284 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' A' ' 4' ' ' PRO . 33.0 p90 -137.99 -175.54 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.19 -51.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -132.45 30.88 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HB3' ' CG ' ' A' ' 5' ' ' TRP . 6.8 tt -74.77 -32.34 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.07 31.38 0.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -31.76 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 stop_ save_