data_2h1z_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 2h1z _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 core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.954 0.407 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD3' ' CE2' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.974 0.416 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.907 0.384 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.998 0.428 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.858 0.361 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.825 0.345 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.769 0.318 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.933 0.397 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.947 0.403 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -77.61 135.78 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.36 168.06 26.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -83.54 138.55 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -152.25 168.1 26.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD3' ' CE2' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -119.12 108.98 15.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.2 168.04 26.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.61 135.59 21.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 p -67.71 136.61 54.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.35 168.05 26.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -149.94 142.85 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.34 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.724 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -131.77 159.2 39.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.85 165.88 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.44 144.02 42.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.02 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.726 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -84.07 114.06 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p -152.21 166.53 31.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.36 144.68 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.36 168.09 26.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.29 127.08 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.08 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -135.28 153.69 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.34 168.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.611 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -143.8 146.81 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.44 168.27 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.1 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -122.94 116.41 23.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.44 168.06 26.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -98.43 158.2 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.29 167.43 28.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.497 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -75.52 124.5 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.33 168.15 26.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -102.9 145.11 30.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.52 168.14 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -145.76 109.95 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.39 168.26 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -124.07 108.3 12.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.24 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -136.52 128.07 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.42 168.14 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -146.55 139.35 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.5 168.15 26.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.54 127.55 16.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.36 167.99 26.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -81.88 112.99 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.56 168.26 26.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -148.92 158.98 44.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -152.31 165.8 33.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.3 150.0 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.24 167.21 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' SER . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 25' ' ' GLN . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.954 0.407 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.854 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 25' ' ' GLN . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' HG11 ' A' ' 4' ' ' VAL . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 11' ' ' SER . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLN . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG22 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 12' ' ' LEU . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 25' ' ' GLN . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.638 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.715 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 12' ' ' LEU . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' SER . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 25' ' ' GLN . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.658 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.82 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.974 0.416 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.849 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.683 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.831 ' N ' HD12 ' A' ' 12' ' ' LEU . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 11' ' ' SER . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.84 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.733 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.67 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 m120 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' SER . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.8 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 21' ' ' ALA . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.69 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.775 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.69 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.3 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.907 0.384 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 10' ' ' CYS . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.677 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 11' ' ' SER . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.1 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 25' ' ' GLN . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.998 0.428 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.433 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.651 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.2 m120 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 11' ' ' SER . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 33' ' ' THR . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.665 ' N ' HD12 ' A' ' 12' ' ' LEU . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' HG3' ' A' ' 25' ' ' GLN . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 21' ' ' ALA . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' OD1' HG12 ' A' ' 6' ' ' VAL . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 25' ' ' GLN . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 14' ' ' THR . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.5 m120 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 11' ' ' SER . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 25' ' ' GLN . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.0 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 25' ' ' GLN . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.858 0.361 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.707 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 11' ' ' SER . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.803 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 25' ' ' GLN . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.825 0.345 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HG3' ' A' ' 25' ' ' GLN . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.618 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' HB2' ' A' ' 11' ' ' SER . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.769 0.318 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.803 ' N ' HD12 ' A' ' 12' ' ' LEU . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 11' ' ' SER . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.817 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.1 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 25' ' ' GLN . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.687 ' N ' HD12 ' A' ' 12' ' ' LEU . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.933 0.397 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.821 ' N ' HD12 ' A' ' 12' ' ' LEU . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 11' ' ' SER . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.6 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.799 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 11' ' ' SER . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.812 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' A' ' 33' ' ' THR . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 25' ' ' GLN . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 10' ' ' CYS . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.588 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.681 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' SER . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.843 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 33' ' ' THR . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.947 0.403 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.7 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.8 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 25' ' ' GLN . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -77.61 135.78 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.36 168.06 26.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' SER . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 25' ' ' GLN . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -83.54 138.55 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -152.25 168.1 26.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.854 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 25' ' ' GLN . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -119.12 108.98 15.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.2 168.04 26.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' HG11 ' A' ' 4' ' ' VAL . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 11' ' ' SER . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLN . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.61 135.59 21.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG22 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 12' ' ' LEU . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 25' ' ' GLN . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 p -67.71 136.61 54.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.35 168.05 26.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.638 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.715 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 12' ' ' LEU . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' SER . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 25' ' ' GLN . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -149.94 142.85 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.34 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.724 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.82 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -131.77 159.2 39.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.85 165.88 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.849 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.683 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.831 ' N ' HD12 ' A' ' 12' ' ' LEU . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 11' ' ' SER . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.84 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.44 144.02 42.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.02 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.726 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.733 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.67 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 m120 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' SER . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.8 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -84.07 114.06 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p -152.21 166.53 31.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 21' ' ' ALA . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.69 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.775 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.69 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.3 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.36 144.68 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.36 168.09 26.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 10' ' ' CYS . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.677 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 11' ' ' SER . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.1 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' ' 25' ' ' GLN . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.29 127.08 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.08 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.433 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.651 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.2 m120 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 11' ' ' SER . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 33' ' ' THR . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -135.28 153.69 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.34 168.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.611 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.665 ' N ' HD12 ' A' ' 12' ' ' LEU . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -143.8 146.81 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.44 168.27 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' HG3' ' A' ' 25' ' ' GLN . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.1 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -122.94 116.41 23.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.44 168.06 26.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 21' ' ' ALA . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' OD1' HG12 ' A' ' 6' ' ' VAL . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 25' ' ' GLN . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -98.43 158.2 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.29 167.43 28.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.497 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 14' ' ' THR . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.5 m120 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 11' ' ' SER . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 25' ' ' GLN . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -75.52 124.5 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.33 168.15 26.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.0 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 25' ' ' GLN . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -102.9 145.11 30.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.52 168.14 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.707 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 11' ' ' SER . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.803 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 25' ' ' GLN . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -145.76 109.95 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.39 168.26 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HG3' ' A' ' 25' ' ' GLN . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -124.07 108.3 12.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.24 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.618 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' HB2' ' A' ' 11' ' ' SER . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -136.52 128.07 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.42 168.14 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.803 ' N ' HD12 ' A' ' 12' ' ' LEU . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 11' ' ' SER . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.817 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.1 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 25' ' ' GLN . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -146.55 139.35 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.5 168.15 26.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.687 ' N ' HD12 ' A' ' 12' ' ' LEU . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.54 127.55 16.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.36 167.99 26.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.821 ' N ' HD12 ' A' ' 12' ' ' LEU . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 11' ' ' SER . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.6 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -81.88 112.99 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.56 168.26 26.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.799 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 11' ' ' SER . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.812 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' A' ' 33' ' ' THR . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 25' ' ' GLN . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -148.92 158.98 44.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -152.31 165.8 33.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 10' ' ' CYS . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.588 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.681 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' SER . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.843 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 33' ' ' THR . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.3 150.0 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.24 167.21 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.7 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.8 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 25' ' ' GLN . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.836 0.35 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' SER . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 25' ' ' GLN . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.954 0.407 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.854 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 25' ' ' GLN . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' HG11 ' A' ' 4' ' ' VAL . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 11' ' ' SER . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLN . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG22 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 12' ' ' LEU . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 25' ' ' GLN . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.638 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.715 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 12' ' ' LEU . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' SER . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 25' ' ' GLN . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.658 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.82 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.974 0.416 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.849 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.683 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.831 ' N ' HD12 ' A' ' 12' ' ' LEU . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 11' ' ' SER . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.84 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.733 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.67 ' N ' HD12 ' A' ' 12' ' ' LEU . 20.6 m-80 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' SER . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.8 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 21' ' ' ALA . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.69 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.775 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.69 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.5 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.907 0.384 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 10' ' ' CYS . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.677 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 11' ' ' SER . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' NE2' HG21 ' A' ' 33' ' ' THR . 18.6 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.512 HG21 ' NE2' ' A' ' 25' ' ' GLN . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.998 0.428 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.433 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.651 ' N ' HD12 ' A' ' 12' ' ' LEU . 46.7 m-20 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 11' ' ' SER . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 33' ' ' THR . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.665 ' N ' HD12 ' A' ' 12' ' ' LEU . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' HG3' ' A' ' 25' ' ' GLN . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.363 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 21' ' ' ALA . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' OD1' HG12 ' A' ' 6' ' ' VAL . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 25' ' ' GLN . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 14' ' ' THR . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 12' ' ' LEU . 35.6 m-20 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 11' ' ' SER . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 25' ' ' GLN . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' NE2' HG21 ' A' ' 33' ' ' THR . 18.2 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 HG21 ' NE2' ' A' ' 25' ' ' GLN . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.858 0.361 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.707 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 11' ' ' SER . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.803 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 25' ' ' GLN . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.825 0.345 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HG3' ' A' ' 25' ' ' GLN . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.848 0.356 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.618 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' HB2' ' A' ' 11' ' ' SER . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.769 0.318 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.803 ' N ' HD12 ' A' ' 12' ' ' LEU . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 11' ' ' SER . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.817 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' HG23 ' A' ' 33' ' ' THR . 10.3 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 25' ' ' GLN . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.687 ' N ' HD12 ' A' ' 12' ' ' LEU . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.933 0.397 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.821 ' N ' HD12 ' A' ' 12' ' ' LEU . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 11' ' ' SER . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.799 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 11' ' ' SER . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.812 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' A' ' 33' ' ' THR . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 25' ' ' GLN . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 10' ' ' CYS . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.588 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.681 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' SER . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.843 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 33' ' ' THR . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.947 0.403 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.7 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.8 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 25' ' ' GLN . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -77.61 135.78 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.905 0.383 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.36 168.06 26.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.7 t -89.33 131.22 41.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.648 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.82 137.46 45.33 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 121.766 1.644 . . . . 0.0 111.769 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.1 t -58.23 149.63 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.975 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 73.33 6.17 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.692 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -116.09 155.26 48.27 Favored Pre-proline 0 C--N 1.344 0.334 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -66.12 141.69 64.59 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.1 1.867 . . . . 0.0 113.29 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -129.48 -177.97 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.456 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.57 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -140.66 136.94 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.9 -21.47 29.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.73 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -104.81 2.28 29.96 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' SER . 27.3 p -102.5 -177.8 3.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.5 155.43 68.19 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.4 -176.81 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.308 2.005 . . . . 0.0 112.04 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.6 m -89.62 176.59 6.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.122 0.487 . . . . 0.0 111.122 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -103.86 167.09 10.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.549 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 54.52 31.87 15.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.2 37.39 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.046 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.823 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.29 176.37 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -137.64 140.49 40.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.32 112.34 16.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.21 156.53 33.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.417 0.627 . . . . 0.0 111.767 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.3 tt0 -73.72 137.8 44.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.124 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -153.52 -177.81 6.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.39 146.28 37.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -105.15 -175.64 2.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.53 -31.28 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.14 -29.24 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.51 -0.06 40.07 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.357 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -87.8 157.19 19.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.262 0.531 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 25' ' ' GLN . 59.9 m -67.9 137.68 55.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -144.34 173.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -117.25 124.44 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.8 m-85 -124.62 166.12 16.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 111.483 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.0 m -100.69 133.59 44.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.906 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -130.42 126.91 38.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -83.54 138.55 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -152.25 168.1 26.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.9 t -90.52 131.62 37.6 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 16.0 Cg_exo -66.31 136.71 44.68 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 121.636 1.558 . . . . 0.0 111.873 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.854 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.7 t -58.17 149.58 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.996 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.24 6.09 5.15 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.786 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -115.96 155.11 48.27 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.373 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -65.75 141.29 65.23 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.102 1.868 . . . . 0.0 113.338 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.03 -178.06 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.444 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -138.2 159.48 41.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -15.66 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.602 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.7 p-10 -111.14 10.47 21.92 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -110.42 -177.05 3.14 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.72 155.47 86.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.53 -176.73 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.298 1.999 . . . . 0.0 112.009 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -88.08 176.59 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.4 m -103.82 167.25 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.725 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 54.45 31.75 15.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.8 37.01 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.22 177.41 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -139.43 140.05 37.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.15 112.28 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.75 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -119.26 156.43 29.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.452 0.644 . . . . 0.0 111.781 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.4 tt0 -76.59 131.4 38.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.202 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.29 -178.36 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -111.61 147.91 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.2 -175.43 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.71 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -75.18 -29.4 60.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.58 2.56 43.6 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.351 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.49 157.07 18.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 117.218 0.509 . . . . 0.0 110.644 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 25' ' ' GLN . 55.8 m -67.84 131.9 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.47 174.03 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.42 124.96 44.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.4 m-85 -125.43 165.45 18.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.963 0.411 . . . . 0.0 111.553 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 m -100.61 134.21 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -130.64 127.59 39.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.864 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -119.12 108.98 15.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.2 168.04 26.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.434 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -90.62 131.55 37.59 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.75 137.42 45.51 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.684 1.589 . . . . 0.0 111.786 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.2 t -58.13 149.58 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 73.58 5.72 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.747 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -115.81 154.99 48.19 Favored Pre-proline 0 C--N 1.345 0.396 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.75 141.8 67.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.09 1.86 . . . . 0.0 113.175 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' HG11 ' A' ' 4' ' ' VAL . 2.6 p -128.85 -178.58 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.543 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER -140.6 137.15 33.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.748 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.5 pp -56.91 -21.63 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.655 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.6 p-10 -102.39 -5.05 24.58 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' ' 11' ' ' SER . 22.4 p -94.87 -178.07 4.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.829 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -64.89 155.41 83.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.78 -178.35 0.39 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.262 1.974 . . . . 0.0 111.997 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.22 176.75 7.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.171 0.51 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.87 166.84 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.648 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.76 30.51 13.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.8 36.77 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.981 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.73 176.51 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -137.13 140.66 42.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.667 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.22 112.29 17.4 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 m -122.24 156.67 33.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.424 0.63 . . . . 0.0 111.894 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.0 tt0 -74.6 128.94 36.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.246 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -146.54 -179.33 6.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.794 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.57 146.69 29.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -100.54 -175.07 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.81 -29.97 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.345 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -82.12 -29.05 31.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.06 -6.67 29.02 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.244 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -77.65 157.34 30.23 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 117.144 0.472 . . . . 0.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' HG3' ' A' ' 25' ' ' GLN . 57.0 m -67.84 142.06 56.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -152.39 174.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -115.29 124.45 51.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.3 m-85 -125.26 165.37 18.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.016 0.436 . . . . 0.0 111.553 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -100.78 134.01 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -130.47 127.9 40.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.782 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.61 135.59 21.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.3 t -88.69 130.9 43.44 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.5 Cg_exo -66.89 137.29 44.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.748 1.632 . . . . 0.0 111.929 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG22 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -58.51 149.58 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 73.72 5.63 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.737 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -115.27 155.61 46.68 Favored Pre-proline 0 C--N 1.344 0.348 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.4 Cg_endo -66.61 141.58 61.1 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.026 1.817 . . . . 0.0 113.406 -179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.9 p -130.14 -177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.453 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -139.86 158.31 44.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -76.14 -17.44 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 12' ' ' LEU . 18.4 p30 -110.36 10.49 23.46 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 58.6 p -109.7 -174.87 2.6 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 155.19 85.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.86 -177.22 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.212 1.941 . . . . 0.0 111.695 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.4 m -88.43 176.18 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.59 166.13 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 54.92 30.51 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 65.02 36.41 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.93 176.88 9.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -137.75 140.34 40.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.675 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.24 112.36 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.5 m -119.96 156.52 30.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.49 0.662 . . . . 0.0 111.925 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 33' ' ' THR . 30.8 tt0 -75.43 135.46 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.102 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -150.99 -177.77 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.673 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -115.73 145.41 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -102.38 -176.02 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.19 -31.99 70.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -75.59 -29.16 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.48 37.81 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.701 -0.762 . . . . 0.0 113.329 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -81.46 152.29 27.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 117.208 0.504 . . . . 0.0 110.752 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 25' ' ' GLN . 64.1 m -68.08 130.33 42.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.6 m -136.23 173.69 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.0 125.27 49.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.539 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.8 m-85 -123.75 165.91 16.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.987 0.422 . . . . 0.0 111.526 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.3 m -100.35 132.85 45.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -129.85 126.44 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.066 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 p -67.71 136.61 54.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.35 168.05 26.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.2 t -89.41 131.77 39.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -66.41 136.59 43.85 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 121.694 1.596 . . . . 0.0 111.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.7 t -58.7 149.44 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.6 5.65 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.794 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -115.71 154.25 48.01 Favored Pre-proline 0 C--N 1.344 0.362 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.313 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.5 Cg_endo -64.4 141.51 74.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.195 1.93 . . . . 0.0 113.233 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -128.43 -178.3 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.333 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.638 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -142.08 139.08 32.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.957 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.715 HD12 ' N ' ' A' ' 13' ' ' ASN . 3.4 pp -58.32 -19.62 36.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.761 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.715 ' N ' HD12 ' A' ' 12' ' ' LEU . 63.0 m-20 -105.69 10.13 32.92 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.638 HG23 ' HB2' ' A' ' 11' ' ' SER . 43.3 p -110.18 -177.32 3.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.918 0.389 . . . . 0.0 111.018 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -65.9 156.94 82.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.0 -179.34 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.17 1.913 . . . . 0.0 111.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -87.88 176.56 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.161 0.505 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -103.83 167.19 9.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.747 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 54.7 30.74 14.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 t0 65.06 36.62 7.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.66 177.78 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.1 m -140.52 141.84 35.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.688 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.59 112.36 16.77 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -121.02 156.43 32.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.48 0.657 . . . . 0.0 111.908 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.3 tt0 -75.93 131.53 39.68 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.012 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -144.12 -177.59 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.973 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -93.15 -173.43 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.71 -31.33 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.23 -29.43 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.69 12.11 31.2 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.188 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.59 154.6 17.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.071 0.435 . . . . 0.0 110.525 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 25' ' ' GLN . 35.8 m -68.06 131.55 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 111.012 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.99 173.19 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -120.46 123.14 42.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -125.48 166.17 17.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.022 0.439 . . . . 0.0 111.596 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -100.71 134.5 43.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -131.08 128.04 39.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -149.94 142.85 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.34 168.11 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.724 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.2 131.94 37.28 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.552 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.23 136.65 44.73 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 121.713 1.609 . . . . 0.0 111.758 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.8 t -58.64 149.43 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.365 -0.379 . . . . 0.0 109.993 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 73.75 5.45 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.785 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -115.3 155.05 47.45 Favored Pre-proline 0 C--N 1.344 0.368 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.4 Cg_endo -65.71 141.36 65.72 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.082 1.854 . . . . 0.0 113.255 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.2 p -128.56 -177.93 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.401 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -139.96 160.4 39.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -15.43 58.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.755 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.658 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p-10 -110.18 10.53 23.82 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -110.31 -176.88 3.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -67.93 156.19 90.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.59 -177.78 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.21 1.94 . . . . 0.0 111.926 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.82 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.7 m -87.24 176.66 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.107 0.479 . . . . 0.0 111.045 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.87 167.28 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.641 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.46 32.09 16.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.054 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.93 37.51 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.051 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.45 177.42 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -139.27 140.31 37.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.644 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.32 112.39 16.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.776 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -120.44 156.28 31.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.48 0.657 . . . . 0.0 111.824 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -75.88 131.83 39.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.24 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -146.14 -178.08 5.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -112.15 146.04 38.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -107.43 -173.94 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.76 -31.68 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -71.96 -29.49 64.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.62 13.85 31.36 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.241 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.94 17.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.933 0.367 . . . . 0.0 110.375 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 60.6 m -67.92 129.23 39.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.93 173.41 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.97 125.76 48.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -124.28 165.53 17.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.425 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.69 133.98 44.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -130.92 127.93 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.841 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -131.77 159.2 39.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.1 p -149.85 165.88 31.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 90.4 t -90.4 131.69 37.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.646 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.21 137.17 46.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.648 1.565 . . . . 0.0 111.877 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.849 HG22 ' HB2' ' A' ' 21' ' ' ALA . 88.6 t -58.37 149.65 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.52 4.89 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.74 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -115.55 154.99 47.84 Favored Pre-proline 0 C--N 1.345 0.393 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.7 Cg_endo -65.8 141.63 66.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.123 1.882 . . . . 0.0 113.286 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.8 p -129.53 -177.85 4.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.3 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.683 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -137.99 154.0 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.992 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.1 pp -70.99 -22.89 62.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.831 ' N ' HD12 ' A' ' 12' ' ' LEU . 48.3 p-10 -106.52 10.5 31.26 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 11' ' ' SER . 60.4 p -107.33 -176.97 3.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.889 0.375 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.78 155.84 88.47 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.61 -177.64 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.243 1.962 . . . . 0.0 111.983 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.84 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.7 m -88.96 177.21 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.172 0.51 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.77 167.46 9.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.696 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 54.47 31.01 13.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t70 64.59 37.04 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.26 175.93 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -137.63 139.71 40.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.36 112.16 16.33 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -118.37 156.15 29.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 111.798 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.7 tt0 -77.02 131.2 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.071 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -143.41 -177.25 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -114.67 146.38 40.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.977 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -105.83 -171.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.98 -43.99 98.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.98 -29.39 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.73 2.97 40.14 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.48 156.07 24.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.241 0.52 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.6 m -67.76 131.13 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 111.058 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.62 173.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.781 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -125.26 123.93 40.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 13.9 m-85 -125.35 165.96 17.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 m -100.93 133.11 45.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -129.8 127.59 40.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.44 144.02 42.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.02 26.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.726 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.2 t -89.59 131.7 39.19 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.6 136.56 43.06 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 121.591 1.527 . . . . 0.0 111.796 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.44 149.57 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.95 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 73.97 5.33 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -115.84 154.77 48.23 Favored Pre-proline 0 C--N 1.345 0.375 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.365 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.2 Cg_endo -65.07 141.75 71.37 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.17 1.913 . . . . 0.0 113.215 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.1 p -128.18 -178.03 4.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.516 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.733 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.84 159.96 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.899 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.16 -15.66 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.71 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.67 ' N ' HD12 ' A' ' 12' ' ' LEU . 20.6 m-80 -109.24 10.5 25.72 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' SER . 52.2 p -110.26 -174.57 2.52 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.99 0.424 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -70.74 155.78 92.91 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.94 -178.03 0.29 Allowed 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.216 1.944 . . . . 0.0 111.818 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.8 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -86.75 175.94 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.11 0.481 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.1 m -103.91 167.54 9.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.769 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 54.57 31.15 14.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.68 36.75 8.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.036 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -82.23 176.92 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.5 m -139.34 141.82 37.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.61 112.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.825 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 m -123.4 156.57 35.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.486 0.66 . . . . 0.0 111.876 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.6 tt0 -74.97 131.39 40.62 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.094 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -145.52 -178.32 6.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 136.5 50.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -95.08 -171.7 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -31.39 68.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -72.46 -29.47 63.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.35 11.45 31.39 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.259 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.82 155.61 17.83 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.038 0.419 . . . . 0.0 110.592 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.2 m -67.88 135.9 53.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.46 171.63 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.737 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -114.94 124.0 50.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.526 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.9 m-85 -124.03 166.48 15.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 111.39 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.78 133.88 44.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.894 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -130.03 127.95 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -84.07 114.06 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.3 p -152.21 166.53 31.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.446 HG11 ' HB3' ' A' ' 10' ' ' CYS . 98.9 t -88.9 131.19 42.1 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -66.77 137.49 45.68 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 121.642 1.562 . . . . 0.0 111.691 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 21' ' ' ALA . 85.2 t -58.14 149.57 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 74.19 5.15 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -115.65 154.49 47.95 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.374 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 Cg_endo -64.77 141.73 73.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.287 1.991 . . . . 0.0 113.35 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -131.5 -177.97 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.28 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.69 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -141.39 151.97 43.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -69.18 -21.14 63.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.528 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.775 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.1 p30 -106.16 10.62 31.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.69 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.2 p -110.34 -176.39 2.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.872 0.368 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -66.14 154.28 90.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.97 -178.01 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.195 1.93 . . . . 0.0 112.052 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.828 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.0 m -87.75 176.53 7.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 111.057 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.72 166.96 10.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 55.31 30.18 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.39 36.77 8.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.68 176.74 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.5 m -136.59 139.19 41.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.668 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.89 112.22 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.4 m -119.8 156.46 30.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.521 0.676 . . . . 0.0 111.839 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.5 tt0 -74.89 135.66 41.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.293 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -152.36 -178.5 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -108.19 147.18 31.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.59 -174.12 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.69 -31.01 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -73.34 -29.39 62.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.37 6.08 42.11 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.403 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.8 157.09 16.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.249 0.525 . . . . 0.0 110.583 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 73.6 m -67.83 128.23 35.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.6 m -133.11 173.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 2.6 m-85 -119.6 127.41 52.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -124.71 166.17 16.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 m -100.67 133.35 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.984 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -130.06 127.3 39.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.768 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.36 144.68 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.36 168.09 26.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 10' ' ' CYS . 94.3 t -89.48 131.65 39.55 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -66.67 137.03 44.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.721 1.614 . . . . 0.0 111.769 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 94.4 t -58.32 149.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 73.21 6.26 5.19 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.737 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -116.13 155.2 48.4 Favored Pre-proline 0 C--N 1.346 0.428 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.1 Cg_endo -65.75 141.55 66.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.08 1.853 . . . . 0.0 113.308 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.0 p -128.83 -177.96 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.481 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.18 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.793 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.97 -15.77 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.673 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.677 ' N ' HD12 ' A' ' 12' ' ' LEU . 19.2 p-10 -109.95 10.45 24.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 11' ' ' SER . 78.0 p -110.46 -176.11 2.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.61 155.6 90.87 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.97 -177.74 0.36 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.305 2.003 . . . . 0.0 111.966 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.809 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -86.62 176.59 7.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -103.9 166.75 10.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.753 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 54.59 31.0 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 64.64 36.78 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.52 175.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.6 m -137.57 140.69 41.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.763 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.01 112.46 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.751 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -121.61 156.46 32.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.572 0.701 . . . . 0.0 111.873 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' NE2' HG21 ' A' ' 33' ' ' THR . 18.6 tt0 -75.72 130.18 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -143.92 -177.76 5.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -115.82 140.15 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.993 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.16 -175.27 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.43 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.13 -29.49 62.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.76 4.44 42.51 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.432 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.28 152.28 20.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.266 0.533 . . . . 0.0 110.479 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.512 HG21 ' NE2' ' A' ' 25' ' ' GLN . 68.5 m -67.96 131.45 45.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.8 172.59 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.734 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -117.55 124.5 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.433 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.4 m-85 -124.33 166.34 16.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.049 0.452 . . . . 0.0 111.461 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 m -100.62 133.91 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.945 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -131.13 128.09 39.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.092 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.29 127.08 11.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.27 168.08 26.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.433 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.2 t -90.06 131.66 38.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.464 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.5 137.25 45.92 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 121.641 1.561 . . . . 0.0 111.783 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.37 149.42 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 73.78 5.48 4.84 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.825 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -114.42 154.94 46.44 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.356 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.9 Cg_endo -65.65 141.57 67.0 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.182 1.921 . . . . 0.0 113.222 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.9 p -131.01 -177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.62 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.6 OUTLIER -143.35 161.12 39.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.856 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.13 -14.95 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.767 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.651 ' N ' HD12 ' A' ' 12' ' ' LEU . 46.7 m-20 -108.27 10.43 27.73 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 11' ' ' SER . 64.1 p -111.69 -175.54 2.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -69.58 155.55 93.31 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.69 179.77 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.231 1.954 . . . . 0.0 111.965 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.9 m -85.33 176.58 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.176 0.512 . . . . 0.0 111.18 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m -103.92 166.79 10.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.717 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 54.73 31.03 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.71 36.8 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.68 173.6 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.8 m -135.56 140.2 44.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.722 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -78.19 112.26 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.6 m -119.66 156.22 30.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.608 0.718 . . . . 0.0 111.933 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' HG23 ' A' ' 33' ' ' THR . 40.9 tt0 -76.59 130.34 37.71 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.029 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -143.46 -177.97 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -112.92 147.63 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -105.74 -173.23 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -66.45 -30.53 70.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -76.04 -29.42 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.39 2.79 38.16 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -88.98 157.3 18.43 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.238 0.519 . . . . 0.0 110.727 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 25' ' ' GLN . 56.3 m -67.76 134.22 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -136.8 174.16 12.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.809 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -125.04 124.52 42.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.66 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.8 m-85 -126.88 166.78 16.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.093 0.473 . . . . 0.0 111.634 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 m -100.44 133.58 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.1 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -135.28 153.69 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.34 168.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.611 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 95.9 t -88.92 131.37 41.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.65 136.95 44.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 121.722 1.615 . . . . 0.0 111.733 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.43 149.35 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 74.25 5.09 4.62 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.809 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -114.76 154.66 46.83 Favored Pre-proline 0 C--N 1.344 0.341 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.481 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 26.6 Cg_endo -64.7 141.42 72.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.179 1.92 . . . . 0.0 113.316 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.9 p -130.86 -178.06 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.603 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -139.54 159.62 41.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.05 -15.66 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.812 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.665 ' N ' HD12 ' A' ' 12' ' ' LEU . 28.9 p-10 -110.33 10.45 23.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.5 p -110.61 -176.29 2.94 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -65.63 155.95 84.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.58 -176.61 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.207 1.938 . . . . 0.0 112.112 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.9 m -88.88 176.4 7.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 0.0 111.064 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.8 m -104.02 167.12 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.615 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 54.81 30.36 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 t0 64.97 36.52 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.065 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.37 177.48 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -138.67 139.48 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.08 112.47 15.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.8 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 m -123.38 156.61 35.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.466 0.65 . . . . 0.0 111.929 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' HG23 ' A' ' 33' ' ' THR . 36.5 tt0 -75.56 128.18 34.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.108 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -141.74 -177.27 5.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -112.29 147.45 36.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -103.93 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.46 -31.03 70.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -75.24 -29.21 60.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.86 -2.96 35.86 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.348 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -84.64 157.42 21.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 117.198 0.499 . . . . 0.0 110.733 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 25' ' ' GLN . 54.7 m -67.56 143.06 56.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.59 176.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -117.51 125.61 51.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.9 m-85 -129.3 164.69 22.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.136 0.493 . . . . 0.0 111.785 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -100.64 134.46 43.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -131.22 127.05 37.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -143.8 146.81 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -152.44 168.27 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.9 t -90.16 131.77 37.89 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.48 136.77 44.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 121.603 1.535 . . . . 0.0 111.861 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.8 t -58.09 149.63 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.083 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 73.19 6.13 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.766 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -115.35 155.17 47.36 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.324 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.7 141.58 66.74 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.105 1.87 . . . . 0.0 113.348 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.99 -177.69 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.414 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.06 149.92 43.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.4 pp -67.79 -19.88 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.801 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.749 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.8 p-10 -107.58 10.52 29.17 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -109.96 -177.43 3.26 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -64.1 155.57 78.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.08 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.2 -175.87 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.252 1.968 . . . . 0.0 112.065 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 58.2 m -91.21 176.69 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.193 0.521 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.4 m -104.06 167.8 9.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.838 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 54.59 30.8 13.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.64 36.94 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.27 178.47 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -140.75 140.23 34.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -79.08 112.3 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -121.47 156.56 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.571 0.701 . . . . 0.0 111.973 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG3' HG23 ' A' ' 33' ' ' THR . 33.6 tt0 -75.87 130.84 39.17 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.088 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -143.65 -177.01 5.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.62 142.12 47.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.997 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -97.91 -173.64 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.8 -33.9 76.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.89 -29.35 63.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.64 12.26 30.92 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.68 157.18 16.01 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.014 0.407 . . . . 0.0 110.464 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' HG3' ' A' ' 25' ' ' GLN . 31.0 m -67.92 134.39 50.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 0.0 111.0 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -140.5 174.22 8.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.97 123.44 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 7.1 m-85 -126.95 166.43 17.53 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.026 0.441 . . . . 0.0 111.64 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 m -100.79 134.95 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.923 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -131.33 128.31 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.1 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -122.94 116.41 23.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.44 168.06 26.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.7 t -88.66 131.05 42.98 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.99 137.72 45.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 121.739 1.626 . . . . 0.0 111.899 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 21' ' ' ALA . 84.2 t -57.95 149.47 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' OD1' HG12 ' A' ' 6' ' ' VAL . 22.4 m-20 72.93 6.39 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.823 -177.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -115.28 155.34 47.04 Favored Pre-proline 0 C--N 1.344 0.339 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.24 141.52 63.13 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.063 1.842 . . . . 0.0 113.493 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.8 p -131.07 -178.03 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.56 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -144.89 154.18 42.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -71.95 -14.99 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.2 p30 -108.39 10.47 27.48 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.3 p -113.17 -175.22 2.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -67.97 156.48 89.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -177.52 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.267 1.978 . . . . 0.0 112.031 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.8 m -87.91 176.73 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -103.8 166.43 10.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.688 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 54.95 30.49 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.86 36.54 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.819 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.25 176.23 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.2 m -137.35 139.91 41.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.72 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.43 112.29 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -120.57 156.61 31.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 0.0 111.925 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 33' ' ' THR . 38.6 tt0 -74.82 137.58 41.98 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.054 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -151.78 -177.64 6.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.61 142.24 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.75 -173.21 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.3 -29.81 70.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.21 -29.39 57.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.014 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.97 11.91 31.09 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.224 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -95.95 152.27 18.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.058 0.429 . . . . 0.0 110.504 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.462 HG23 ' HG3' ' A' ' 25' ' ' GLN . 53.6 m -67.87 127.51 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.409 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.65 173.44 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.699 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -119.89 125.18 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.3 m-85 -125.31 167.01 15.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.057 0.456 . . . . 0.0 111.514 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 m -100.43 132.91 45.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.945 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -130.65 127.57 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.783 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.042 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -98.43 158.2 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.29 167.43 28.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.497 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 88.5 t -88.51 131.0 43.39 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 14.6 Cg_exo -66.91 137.22 44.2 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 121.648 1.565 . . . . 0.0 111.922 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 21' ' ' ALA . 96.9 t -58.12 149.59 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.01 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 73.38 5.98 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.755 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -115.37 155.22 47.32 Favored Pre-proline 0 C--N 1.344 0.361 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.367 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -66.07 141.47 63.95 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.088 1.859 . . . . 0.0 113.293 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.3 p -129.25 -177.81 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.459 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 14' ' ' THR . 2.1 t -142.88 161.51 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.96 -15.7 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 12' ' ' LEU . 35.6 m-20 -109.07 10.41 26.09 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 11' ' ' SER . 79.9 p -110.13 -175.94 2.86 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.886 0.374 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.85 156.59 91.49 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -62.92 -179.83 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.235 1.957 . . . . 0.0 111.792 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.5 m -85.84 176.17 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.4 m -103.83 167.14 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.821 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 54.2 31.55 14.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.81 36.75 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.83 177.32 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.7 m -139.98 141.72 36.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.93 112.32 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.8 m -122.09 156.59 33.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.512 0.672 . . . . 0.0 111.856 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.5 tt0 -75.72 129.72 37.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.171 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -144.46 -178.36 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.75 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -114.31 141.29 47.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -94.3 -174.76 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.78 -31.31 69.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -77.85 -29.09 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.21 -4.38 33.47 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.293 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 156.78 30.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 117.221 0.511 . . . . 0.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 25' ' ' GLN . 52.1 m -70.93 136.9 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.72 174.25 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.623 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -117.22 124.03 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.2 m-85 -125.77 166.08 17.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 0.0 111.558 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 m -100.71 133.37 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -131.13 129.15 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.798 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.156 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -75.52 124.5 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.33 168.15 26.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.4 t -89.77 131.66 38.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.598 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.64 137.15 45.0 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.666 1.577 . . . . 0.0 111.901 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.18 149.51 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.996 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 73.05 6.45 5.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -116.46 155.24 48.82 Favored Pre-proline 0 C--N 1.345 0.393 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.348 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.6 Cg_endo -65.63 141.8 68.06 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.192 1.928 . . . . 0.0 113.267 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.3 p -129.26 -177.87 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.405 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -145.45 156.79 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -74.25 -14.67 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.803 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.7 m120 -107.97 10.31 28.4 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -112.63 -175.47 2.68 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -70.3 155.96 92.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -61.92 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.242 1.961 . . . . 0.0 111.885 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.1 m -84.9 176.42 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.89 166.67 10.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.726 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 54.5 30.84 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 64.57 37.06 8.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.88 177.31 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -138.29 139.86 39.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.25 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.8 m -121.99 156.52 33.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.5 0.667 . . . . 0.0 111.903 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' NE2' HG21 ' A' ' 33' ' ' THR . 18.2 tt0 -74.83 128.72 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.264 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -144.89 -179.21 6.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -109.39 147.78 32.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -102.15 -175.08 2.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.036 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -60.3 -30.15 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -79.89 -29.17 39.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.65 -4.87 30.96 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.328 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.78 157.07 27.17 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 117.193 0.496 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG21 ' NE2' ' A' ' 25' ' ' GLN . 44.4 m -68.09 142.74 55.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.58 173.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.61 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.35 124.24 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.5 m-85 -125.67 165.6 18.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.959 0.409 . . . . 0.0 111.569 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 m -100.63 133.99 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -132.76 130.06 39.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.799 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.101 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -102.9 145.11 30.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.52 168.14 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 10' ' ' CYS . 78.1 t -88.05 130.92 44.56 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.645 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -66.88 137.08 43.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 121.725 1.617 . . . . 0.0 111.853 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.83 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.6 t -58.43 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.91 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 73.67 5.82 4.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.717 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -115.46 155.21 47.46 Favored Pre-proline 0 C--N 1.345 0.372 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.0 Cg_endo -66.02 141.22 63.27 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.072 1.848 . . . . 0.0 113.42 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.1 p -129.7 -177.68 4.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.351 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.707 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.48 162.79 34.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.2 -19.86 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.474 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.8 p30 -108.43 10.39 27.41 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 11' ' ' SER . 74.4 p -107.11 -175.48 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.832 0.348 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.0 155.2 94.05 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.985 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.96 -177.21 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.308 2.006 . . . . 0.0 111.804 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.803 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.7 m -89.69 175.89 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.5 m -103.81 166.61 10.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 54.65 31.07 14.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 64.71 36.69 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.03 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.6 m -136.7 139.53 42.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.42 112.14 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 m -117.42 155.99 28.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.438 0.637 . . . . 0.0 111.652 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.72 142.63 44.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.935 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -156.54 -176.93 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -116.84 150.98 37.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.0 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -111.15 -172.28 2.0 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.98 -44.15 94.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -67.24 -29.24 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.8 1.62 39.68 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.623 -0.799 . . . . 0.0 113.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.69 155.23 25.65 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.244 0.522 . . . . 0.0 110.611 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 25' ' ' GLN . 69.2 m -67.99 129.07 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.44 . . . . 0.0 111.028 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.15 173.49 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.579 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -125.52 127.39 46.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 14.8 m-85 -125.05 165.39 18.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.991 0.424 . . . . 0.0 111.459 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.8 m -100.51 133.18 45.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.94 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -130.08 126.59 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.783 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.079 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -145.76 109.95 4.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.39 168.26 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.2 t -89.12 131.47 40.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.1 Cg_exo -66.75 136.75 43.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.673 1.582 . . . . 0.0 111.769 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.3 t -57.82 149.52 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.087 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 73.54 5.83 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.685 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -114.84 155.29 46.52 Favored Pre-proline 0 C--N 1.344 0.354 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.2 Cg_endo -65.85 141.44 65.21 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.102 1.868 . . . . 0.0 113.468 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -131.71 -177.94 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.663 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -139.73 157.48 45.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -76.26 -15.99 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.759 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.666 ' N ' HD12 ' A' ' 12' ' ' LEU . 87.0 m-20 -109.59 10.61 24.99 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.3 p -111.08 -176.65 3.01 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.86 155.88 81.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.89 -176.83 0.48 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.308 2.005 . . . . 0.0 112.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.819 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.2 m -89.4 176.83 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.119 0.485 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -103.98 167.13 9.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.821 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.68 30.75 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 64.83 36.85 7.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.038 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -81.3 174.35 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -135.67 139.82 44.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.63 112.69 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.82 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.4 m -122.66 156.55 34.1 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.491 0.662 . . . . 0.0 112.045 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' A' ' 33' ' ' THR . 8.9 tt0 -75.76 129.29 36.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.936 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -141.52 -176.44 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -118.44 140.14 50.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -93.59 -173.68 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.59 -32.05 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -73.8 -29.37 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.56 11.62 30.53 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.275 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -95.3 155.7 16.63 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.016 0.408 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.446 HG23 ' HG3' ' A' ' 25' ' ' GLN . 34.5 m -67.89 136.64 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.933 0.397 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.13 174.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.806 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -116.5 124.7 50.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 3.2 m-85 -128.53 163.6 24.61 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.14 0.495 . . . . 0.0 111.73 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 m -100.72 133.72 44.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -130.03 126.66 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -124.07 108.3 12.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -152.31 168.24 26.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.767 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 10' ' ' CYS . 92.1 t -89.72 131.6 39.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.591 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.2 Cg_exo -66.87 137.39 44.93 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.778 1.652 . . . . 0.0 111.815 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.2 t -58.28 149.68 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.007 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 72.96 6.37 5.32 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.05 155.07 47.05 Favored Pre-proline 0 C--N 1.345 0.395 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.418 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.72 141.56 66.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.03 1.82 . . . . 0.0 113.312 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.7 p -130.95 -178.2 4.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.615 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.618 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -141.15 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.09 -15.16 59.13 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.735 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 12' ' ' LEU . 27.0 m120 -109.19 10.56 25.82 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' HB2' ' A' ' 11' ' ' SER . 64.8 p -111.76 -175.34 2.67 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.64 155.86 90.29 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.03 -177.06 0.42 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.242 1.961 . . . . 0.0 112.029 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.827 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.8 m -88.2 176.78 7.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 0.0 111.071 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.8 166.75 10.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.715 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 54.94 30.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t0 64.93 36.54 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.827 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -80.56 176.81 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.8 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.7 m -138.38 140.07 39.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.651 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.85 112.45 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 m -120.89 156.45 31.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' HG3' HG23 ' A' ' 33' ' ' THR . 37.1 tt0 -76.16 131.41 39.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.988 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.59 -176.65 5.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -113.5 149.0 34.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.972 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -108.27 -174.59 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.72 -30.66 71.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -77.1 -29.22 54.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.83 1.48 39.59 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.366 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -86.59 157.31 19.75 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.188 0.494 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 25' ' ' GLN . 49.3 m -67.59 132.35 47.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.89 174.75 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -122.97 126.1 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 6.8 m-85 -129.91 165.94 21.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.138 0.494 . . . . 0.0 111.838 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.3 m -100.48 133.18 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.943 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -132.1 128.24 37.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.05 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -136.52 128.07 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.42 168.14 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 10' ' ' CYS . 85.5 t -88.52 130.95 43.55 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.14 137.31 43.63 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 121.765 1.643 . . . . 0.0 111.782 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.809 HG22 ' HB2' ' A' ' 21' ' ' ALA . 93.4 t -58.13 149.42 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.014 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 73.84 5.58 4.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 -177.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -114.9 155.48 46.35 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.5 Cg_endo -66.34 141.63 62.95 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.126 1.884 . . . . 0.0 113.485 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.4 p -131.9 -177.71 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.283 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -143.71 151.51 40.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.803 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -67.34 -20.37 65.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.728 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.803 ' N ' HD12 ' A' ' 12' ' ' LEU . 77.6 m-20 -106.75 10.29 30.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' HB2' ' A' ' 11' ' ' SER . 57.6 p -110.37 -176.95 3.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.09 155.33 79.22 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 -177.62 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.159 1.906 . . . . 0.0 111.728 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.817 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.6 m -89.06 176.22 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.139 0.495 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.62 166.12 10.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.763 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 55.05 30.45 14.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t70 64.7 36.51 8.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.817 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.6 176.0 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -136.2 139.35 42.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.46 112.33 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.657 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.2 m -122.04 156.51 33.36 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 121.499 0.666 . . . . 0.0 112.028 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG3' HG23 ' A' ' 33' ' ' THR . 10.3 tt0 -74.95 132.34 41.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.227 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -150.68 179.55 8.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -104.34 144.87 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -105.47 -174.34 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.45 -30.62 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -74.77 -29.38 61.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.87 4.81 42.0 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.425 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -95.67 157.39 15.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 117.255 0.527 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 25' ' ' GLN . 61.0 m -67.62 128.65 37.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.965 0.412 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.49 173.82 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.754 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -118.33 126.5 52.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.5 m-85 -124.05 166.33 15.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.983 0.421 . . . . 0.0 111.407 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 m -100.5 133.26 45.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -130.22 127.65 40.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.869 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -146.55 139.35 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -152.5 168.15 26.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.709 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG11 ' HB3' ' A' ' 10' ' ' CYS . 99.4 t -89.23 131.36 40.92 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.37 136.77 44.64 Favored 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 121.686 1.591 . . . . 0.0 111.793 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.869 HG22 ' HB2' ' A' ' 21' ' ' ALA . 95.6 t -58.63 149.37 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.941 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.05 5.11 4.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.882 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -114.41 155.27 46.06 Favored Pre-proline 0 C--N 1.345 0.392 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.345 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.8 Cg_endo -65.99 141.59 64.95 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.081 1.854 . . . . 0.0 113.233 -179.326 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.7 p -130.02 -178.01 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.486 179.337 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.91 160.25 40.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.818 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -78.12 -16.0 58.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.799 -179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.687 ' N ' HD12 ' A' ' 12' ' ' LEU . 47.2 m-20 -109.59 10.56 25.01 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.73 HG23 ' HB3' ' A' ' 11' ' ' SER . 54.1 p -110.37 -174.62 2.53 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.968 0.413 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -68.82 156.66 90.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.05 -176.64 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.227 1.951 . . . . 0.0 112.001 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.822 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 59.4 m -89.02 176.93 6.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.167 0.508 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.7 m -103.73 166.36 10.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.785 -179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 54.88 30.72 14.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 t70 65.11 36.46 7.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.869 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.97 175.9 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.7 m -138.04 141.16 40.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.9 112.42 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.61 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 m -122.16 156.58 33.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.663 0.744 . . . . 0.0 111.95 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' HG23 ' A' ' 33' ' ' THR . 28.9 tt0 -75.66 130.95 39.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.165 178.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -145.5 -178.53 6.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -113.1 146.18 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -103.78 -172.04 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -65.52 -34.55 78.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -71.61 -29.38 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.82 13.68 29.0 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.064 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.47 155.79 17.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.975 0.388 . . . . 0.0 110.477 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 HG23 ' HG3' ' A' ' 25' ' ' GLN . 58.0 m -68.36 132.4 47.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.95 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.95 173.93 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.569 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -120.42 124.66 46.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.1 m-85 -126.11 167.02 15.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.042 0.449 . . . . 0.0 111.586 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.51 133.94 44.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -130.74 128.35 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.54 127.55 16.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.36 167.99 26.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 97.7 t -89.5 131.01 41.45 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.638 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.49 137.41 46.52 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.738 1.625 . . . . 0.0 111.807 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.6 t -58.07 149.34 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.04 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 73.73 5.65 4.88 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.802 -177.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.6 155.23 46.34 Favored Pre-proline 0 C--N 1.344 0.366 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.2 Cg_endo -66.11 141.61 64.3 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.103 1.868 . . . . 0.0 113.52 -179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 6.1 p -133.13 -177.56 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.22 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -139.65 153.31 47.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.895 179.738 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 13' ' ' ASN . 2.0 pp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.425 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.821 ' N ' HD12 ' A' ' 12' ' ' LEU . 22.1 p30 -107.1 10.15 30.25 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.657 HG23 ' HB3' ' A' ' 11' ' ' SER . 39.1 p -105.52 -177.5 3.38 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.938 0.399 . . . . 0.0 110.763 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.43 154.82 77.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.89 -178.51 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.16 1.907 . . . . 0.0 111.84 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.1 m -90.76 176.29 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.112 0.482 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.7 m -103.83 166.74 10.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.827 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.57 31.08 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 64.24 37.15 8.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.94 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.863 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.5 174.96 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -135.69 139.68 43.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.9 112.31 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.0 m -123.54 156.59 35.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.469 0.652 . . . . 0.0 112.068 -178.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HG3' HG23 ' A' ' 33' ' ' THR . 12.0 tt0 -74.1 135.63 42.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.136 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -150.96 -178.75 6.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -113.15 141.88 46.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -99.41 -176.47 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -61.34 -31.43 71.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.19 -29.32 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 105.65 -0.26 39.6 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.719 -0.753 . . . . 0.0 113.421 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.29 153.17 22.76 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 117.319 0.56 . . . . 0.0 110.704 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.2 m -68.0 131.96 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.82 174.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.52 125.14 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.364 179.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 4.1 m-85 -124.97 167.02 15.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 111.563 -179.39 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 m -100.53 134.67 43.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -131.22 127.95 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.752 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 p -81.88 112.99 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.56 168.26 26.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 10' ' ' CYS . 81.9 t -87.6 130.8 45.81 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.28 137.49 43.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.725 1.617 . . . . 0.0 111.786 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 21' ' ' ALA . 99.5 t -58.06 149.61 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 73.77 5.7 4.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.751 -177.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -115.02 155.38 46.63 Favored Pre-proline 0 C--N 1.345 0.394 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 29.3 Cg_endo -66.26 141.54 63.06 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.082 1.854 . . . . 0.0 113.417 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' HB3' HG11 ' A' ' 4' ' ' VAL . 4.5 p -131.18 -177.54 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.341 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.799 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -144.2 154.52 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.882 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -70.53 -16.23 62.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.625 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 12' ' ' LEU . 14.7 p30 -107.3 -6.62 17.1 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 11' ' ' SER . 63.1 p -92.67 -173.33 3.31 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.809 0.337 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.86 155.4 93.56 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.32 -176.35 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.226 1.95 . . . . 0.0 111.84 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 62.6 m -90.18 176.26 6.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.084 0.468 . . . . 0.0 111.24 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -103.75 165.87 10.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.894 -179.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.66 30.87 14.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 64.64 36.68 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.135 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.812 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.86 176.63 9.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.3 m -137.0 140.07 41.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 t -78.79 112.23 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -119.73 156.53 30.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.593 0.711 . . . . 0.0 111.908 -178.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' A' ' 33' ' ' THR . 9.9 tt0 -74.76 135.33 41.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.164 178.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -150.75 -177.75 6.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -111.82 150.25 30.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.978 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -110.77 -173.12 2.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.21 -34.69 78.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.729 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -71.44 -29.2 64.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.79 15.74 28.12 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.98 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -101.0 157.29 16.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.83 0.315 . . . . 0.0 110.516 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 25' ' ' GLN . 41.8 m -67.76 130.4 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 111.023 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.27 174.47 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -121.3 124.9 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -124.51 166.12 16.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 111.499 -179.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 m -100.16 132.45 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.772 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -130.61 126.02 35.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.788 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.087 -179.951 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -148.92 158.98 44.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.4 p -152.31 165.8 33.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 10' ' ' CYS . 91.4 t -88.46 131.48 42.01 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.572 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.3 Cg_exo -66.83 137.36 44.99 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.742 1.628 . . . . 0.0 111.901 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -58.14 150.13 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.955 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 73.05 5.93 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.764 -177.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -115.75 155.26 47.79 Favored Pre-proline 0 C--N 1.345 0.386 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 30.9 Cg_endo -66.62 141.25 59.74 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.055 1.837 . . . . 0.0 113.327 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB3' HG11 ' A' ' 4' ' ' VAL . 3.5 p -129.6 -177.89 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.442 179.206 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.588 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -137.94 158.84 43.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 179.901 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -77.72 -16.96 58.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.674 179.876 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.681 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.6 p-10 -110.66 10.45 22.83 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 11' ' ' SER . 72.8 p -110.01 -176.1 2.91 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.734 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -64.87 155.9 81.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.69 -177.35 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.224 1.949 . . . . 0.0 112.003 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.843 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 61.7 m -87.28 177.88 7.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.153 0.502 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.42 165.59 10.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.685 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.13 30.75 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 64.5 36.67 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -79.54 176.63 9.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.5 m -137.02 139.76 41.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -79.54 112.4 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -120.0 156.27 31.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.483 0.658 . . . . 0.0 111.796 -178.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 33' ' ' THR . 31.8 tt0 -74.57 139.81 43.98 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.025 178.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -156.86 -176.34 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -116.4 142.14 47.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -98.54 -176.62 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -60.69 -30.75 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.07 -29.24 57.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.17 -2.75 35.14 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.413 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.09 150.6 26.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 117.224 0.512 . . . . 0.0 110.655 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 25' ' ' GLN . 62.7 m -67.99 127.66 33.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.06 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.51 172.55 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.689 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -115.71 126.09 53.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.0 m-85 -123.27 165.62 16.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.134 0.493 . . . . 0.0 111.479 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 m -100.53 131.67 46.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.029 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -127.76 124.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.8 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.017 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.3 150.0 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.8 p -152.24 167.21 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 10' ' ' CYS . 96.2 t -89.02 131.59 40.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 15.0 Cg_exo -66.68 136.9 43.98 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 121.633 1.556 . . . . 0.0 111.821 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 21' ' ' ALA . 97.2 t -58.42 149.6 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.041 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 73.6 5.71 4.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.771 -177.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -115.08 155.13 47.04 Favored Pre-proline 0 C--N 1.345 0.401 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 36' ' ' TYR . 28.8 Cg_endo -65.65 141.31 65.91 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.102 1.868 . . . . 0.0 113.347 -179.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' HG11 ' A' ' 4' ' ' VAL . 5.3 p -130.77 -177.76 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.378 179.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.7 ' HB3' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -140.55 154.27 46.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER -70.11 -20.35 63.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.563 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.8 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.4 p-10 -108.08 10.48 28.13 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.7 HG23 ' HB3' ' A' ' 11' ' ' SER . 66.8 p -107.44 -176.76 3.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.19 155.12 88.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.22 -177.14 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.15 1.9 . . . . 0.0 111.67 179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.813 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 60.3 m -90.65 176.04 6.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -103.72 166.72 10.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.65 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 54.89 30.69 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.76 36.5 8.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.868 ' HB2' HG22 ' A' ' 6' ' ' VAL . . . -80.75 176.16 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.781 179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 m -137.77 140.0 40.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 112.28 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.3 m -120.48 156.41 31.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.52 0.676 . . . . 0.0 111.859 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HG3' HG23 ' A' ' 33' ' ' THR . 32.2 tt0 -77.07 130.56 37.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.085 178.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -142.94 -178.26 5.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -112.76 145.46 40.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.29 -174.16 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.96 -30.44 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -76.38 -29.28 57.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.53 1.5 37.5 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.381 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 157.09 19.33 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.215 0.507 . . . . 0.0 110.524 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 25' ' ' GLN . 47.6 m -68.0 135.1 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.041 0.448 . . . . 0.0 110.952 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -138.29 175.04 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.708 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -125.35 124.98 42.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.655 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' PRO . 5.4 m-85 -126.7 166.61 17.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.126 0.488 . . . . 0.0 111.588 -179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -100.62 134.06 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -131.47 129.08 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.888 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.053 -179.944 . . . . . . . . 0 0 . 1 stop_ save_