data_2emz_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 2emz _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 ' 11' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 5.5 mmp_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE1' ' A' ' 22' ' ' PHE . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 28' ' ' LEU . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.9 m170 -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 22' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 28' ' ' LEU . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 22' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.539 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HD11 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' HIS . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HD11 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 16.9 m170 -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 8.4 m170 -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.592 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 16.3 m170 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 22' ' ' PHE . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -94.79 -54.81 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -172.97 120.42 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.23 -149.47 8.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -89.7 -58.09 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -54.19 138.17 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.42 -42.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 m -118.65 40.67 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.35 100.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -78.82 130.4 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 5.5 mmp_? -100.24 156.86 34.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE1' ' A' ' 22' ' ' PHE . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 -52.81 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.9 ptm85 -47.62 -50.54 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.1 pt-20 -103.09 42.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -88.67 -40.77 13.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 t -75.72 83.94 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.3 p -98.91 164.95 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.94 84.43 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.86 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.6 m -97.02 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -91.33 47.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -105.23 -22.13 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 44.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -93.65 83.78 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -174.25 163.3 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 157.2 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 p -118.58 43.09 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.89 144.25 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -96.95 39.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -75.08 156.56 85.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -116.82 -40.34 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.74 67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -110.35 125.36 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -62.6 167.99 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -112.48 80.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.07 -93.79 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 88.26 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.617 2.212 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.5 m -98.27 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -105.53 122.47 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.491 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -90.99 169.65 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -41.47 129.93 3.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 -112.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -71.6 84.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.66 177.14 17.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -117.64 82.85 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.69 107.38 3.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.46 135.98 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 -54.43 154.97 7.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p -68.03 -28.03 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -58.87 -31.33 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.77 44.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -111.18 159.92 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 m -120.08 133.05 55.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -108.13 117.41 34.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.01 142.03 13.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -175.24 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -48.74 122.46 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -135.06 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.477 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -160.41 175.88 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 55.79 42.1 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.81 178.31 17.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -114.88 82.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.96 84.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.69 -153.81 25.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 p -117.2 -44.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.393 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.22 -147.17 5.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -136.59 140.85 43.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -42.56 155.92 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p -107.51 39.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.6 -53.8 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LYS . 3.2 tp10 -86.53 -49.63 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLU . 17.3 tttt -34.37 -49.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -89.61 152.1 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m 61.01 38.21 17.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.4 -165.65 16.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 83.04 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -134.41 -46.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 t -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -160.2 106.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -92.21 141.53 28.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 53.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 m -157.62 129.11 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -132.05 165.43 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -97.43 -40.57 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 31.6 t -35.24 -58.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.7 99.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.16 101.85 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -72.53 155.09 91.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' ARG . 31.3 t -94.78 -44.71 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.7 ptm180 -33.62 137.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 53.19 40.1 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -61.88 147.15 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.0 m -40.27 -48.96 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -45.79 113.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 -153.68 21.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.79 68.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -99.46 129.23 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -157.86 135.66 10.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -101.4 81.05 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -71.0 103.48 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 94.13 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -135.49 146.79 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -85.41 -60.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.4 -92.49 1.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -56.77 118.67 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.82 53.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.2 110.13 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -147.03 155.2 47.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 22' ' ' PHE . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -82.19 40.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -117.43 -46.43 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.56 58.62 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.55 153.71 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 t -119.04 146.62 44.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 m -100.3 171.51 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.33 -78.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.78 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -157.42 137.1 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.2 t -72.66 83.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 42.78 42.28 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -87.72 169.33 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -151.84 8.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 54.84 42.67 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.922 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -54.16 118.52 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.64 -128.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -156.81 150.1 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.64 128.75 1.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.35 82.77 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -106.92 161.26 23.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 28' ' ' LEU . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.9 m170 -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 22' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m -84.45 32.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -88.24 124.22 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER 43.82 38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' SER . 5.1 tttm -61.45 102.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' LYS . 16.2 t 34.72 41.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 m -74.3 150.78 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.09 -109.64 3.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -56.28 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -65.54 130.03 41.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.03 151.46 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -124.48 42.2 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 -139.21 4.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t 69.23 42.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -63.49 -50.81 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.74 121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -79.98 135.82 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.45 94.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -91.67 92.56 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -113.7 156.54 43.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 28' ' ' LEU . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 22' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.73 -18.58 65.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -41.29 -59.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -98.77 -43.49 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -40.45 -34.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.438 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 10.8 t -93.31 89.01 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -97.58 123.9 41.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.64 155.73 20.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 t -71.45 97.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -84.63 -46.34 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.511 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -104.74 -56.7 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -156.32 126.52 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.8 51.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -84.84 -44.61 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -81.11 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.76 -136.53 2.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -124.5 129.62 50.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.29 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -85.11 41.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -126.63 159.25 64.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.539 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -106.38 70.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -120.79 -48.44 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -119.26 41.56 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -60.97 101.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -70.52 -58.28 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -108.5 144.79 35.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.24 149.49 42.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -84.09 115.58 22.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.8 p -99.48 167.16 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.506 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 69.3 p -37.73 -49.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -129.11 115.77 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.97 43.62 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -47.65 -61.2 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -71.18 -55.28 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -142.19 13.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -125.25 98.17 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.88 78.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -67.78 -43.51 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.9 160.63 0.16 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HD11 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p -74.04 -25.6 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -36.48 -39.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.63 76.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -151.09 135.02 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 55.97 45.32 24.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.6 t -126.52 -60.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.94 64.8 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.38 34.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -105.97 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 m -129.65 147.9 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.069 -0.85 . . . . 0.0 112.531 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -157.6 110.22 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -152.33 146.76 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.01 -149.03 21.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -93.39 146.54 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -156.34 106.75 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.58 -163.77 11.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -115.05 42.17 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.962 0.411 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.81 -127.73 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -153.82 163.37 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -135.06 161.14 65.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' HIS . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' GLU . 6.4 m -90.12 -56.17 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' SER . 8.7 ptm180 -34.46 -35.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.5 tp10 -135.0 96.95 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' SER . 8.4 mtpp -109.98 176.12 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' LYS . 39.2 m -35.15 -58.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -115.98 44.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.56 -148.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.08 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -43.35 120.84 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.0 m -91.47 175.21 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.5 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -95.7 123.24 39.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -127.57 147.85 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 -162.07 20.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -124.15 150.08 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -164.78 112.99 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.96 -147.14 4.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -133.47 177.15 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.06 71.01 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -98.42 44.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.45 157.38 65.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -133.52 43.88 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 3.3 ptp180 -121.08 -34.72 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 16.5 tt0 -134.11 53.2 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 146.4 50.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.6 p -156.59 146.57 21.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.33 110.19 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.7 -147.74 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.87 36.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 m -47.65 117.24 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -135.36 122.08 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -131.61 110.75 11.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -161.79 169.96 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.39 -159.93 26.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -116.45 157.81 24.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -143.99 151.31 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.05 -175.42 13.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -132.07 108.64 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.59 111.54 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.96 76.14 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -76.44 155.99 83.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -91.17 40.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.9 ptt180 -83.96 163.83 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ARG . 25.0 mt-10 34.44 37.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ARG . 19.3 tttp -117.28 -50.99 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 t -70.33 -44.67 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -75.52 115.14 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.84 124.56 7.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 159.08 54.66 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.1 p -124.39 41.31 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -124.07 42.32 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.53 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -40.9 137.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -143.07 171.49 14.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -160.04 31.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.92 107.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.13 89.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 114.97 5.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -110.17 43.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.06 91.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.99 51.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.96 159.43 72.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HD11 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -110.91 50.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.7 ptm180 -104.86 -42.06 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 14.3 mt-10 -133.92 45.57 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -50.77 144.76 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -76.44 177.0 7.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.4 p -91.2 123.26 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 80.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.48 57.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 30.2 t -165.61 145.67 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 58.0 m -36.82 121.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -113.78 42.12 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.0 m -35.13 -47.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 162.98 32.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -119.54 41.38 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 45.78 42.08 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.91 46.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -126.52 41.88 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 116.82 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -85.86 52.66 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? -75.4 155.22 85.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 16.9 m170 -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 22' ' ' PHE . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.1 p -84.25 -50.89 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' SER . 13.0 ptt85 -33.77 131.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 72.15 37.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -80.87 159.23 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -54.74 117.41 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -47.42 128.37 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.95 158.78 24.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 86.35 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -107.31 112.05 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -75.4 142.33 43.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.524 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -77.44 108.49 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.21 42.21 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 126.19 3.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -83.1 41.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -51.77 171.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 126.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 m -58.96 -54.05 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.03 60.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 42.76 41.57 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.46 157.75 81.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 8.4 m170 -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -83.86 -50.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -40.41 -39.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.57 60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 40' ' ' SER . 1.6 pttm -115.74 -27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 33.7 t -44.47 -58.2 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' GLY . 20.5 m -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.96 72.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.45 68.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 66.2 m 42.35 41.23 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 22.0 m -36.74 105.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 49.28 42.29 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 m -69.53 174.73 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 -100.62 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -87.81 177.42 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.19 129.89 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 59.41 7.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -131.33 105.65 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.73 129.13 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.66 117.92 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -113.63 160.04 33.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.592 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 16.3 m170 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 22' ' ' PHE . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m -82.68 38.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -99.41 -44.48 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -115.06 45.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -56.52 173.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -50.84 138.29 19.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 m -55.35 -44.58 76.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.59 143.06 10.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -112.63 -56.82 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -53.2 144.16 16.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.513 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -117.4 80.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -88.42 -52.42 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -164.61 12.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -160.12 137.74 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -44.58 123.23 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.43 54.57 31.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -161.5 115.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.42 -44.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 31.0 mt-10 -79.36 112.07 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 2.1 mpt_? -131.63 153.11 81.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.8 m -71.84 -40.15 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -92.14 45.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 36' ' ' SER . 20.3 mmmt -98.44 148.38 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -129.51 163.5 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m 60.09 47.48 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.69 169.93 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.28 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 t -130.97 115.29 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -112.46 41.65 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -153.81 142.15 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 m -103.83 -57.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.76 40.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.5 81.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -106.06 42.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.63 122.88 7.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -117.07 45.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.32 147.75 5.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.53 124.97 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.338 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -87.92 155.11 52.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' HIS . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m -106.94 42.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 7.5 ptm180 -95.95 -41.05 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 27.6 tt0 -71.2 -48.66 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -42.48 130.81 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 72.55 41.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -126.91 -47.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.11 -161.91 14.33 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 159.84 51.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 -57.06 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.0 t -62.74 -60.07 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -50.83 153.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -95.09 -56.3 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -150.88 20.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -113.07 142.2 46.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.396 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -45.62 169.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.99 53.58 3.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -114.15 81.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.45 75.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.95 -35.31 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.97 160.75 0.24 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p -93.87 37.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -90.29 -41.11 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 16.0 pt-20 -100.85 -36.84 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.1 tttp -34.57 150.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -83.58 145.73 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -160.72 108.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.74 -152.05 38.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.24 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -103.72 -15.22 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.9 t 38.2 47.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.514 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 5.5 mmp_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 12' ' ' PRO . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.634 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 28' ' ' LEU . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 19' ' ' GLY . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 32' ' ' LEU . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' LYS . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 32' ' ' LEU . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' PRO . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' N ' HD12 ' A' ' 34' ' ' LEU . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.717 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 32' ' ' LEU . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.633 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.684 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 32' ' ' LEU . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.664 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 28' ' ' LEU . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' LEU . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.681 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.681 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.701 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.696 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -94.79 -54.81 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -172.97 120.42 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.23 -149.47 8.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -89.7 -58.09 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -54.19 138.17 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.42 -42.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 m -118.65 40.67 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.35 100.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -78.82 130.4 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 5.5 mmp_? -100.24 156.86 34.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 12' ' ' PRO . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 -52.81 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.9 ptm85 -47.62 -50.54 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.1 pt-20 -103.09 42.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -88.67 -40.77 13.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 t -75.72 83.94 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.3 p -98.91 164.95 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.94 84.43 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.86 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.6 m -97.02 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -91.33 47.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -105.23 -22.13 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 44.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -93.65 83.78 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -174.25 163.3 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 157.2 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 p -118.58 43.09 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.89 144.25 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -96.95 39.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -75.08 156.56 85.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.634 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -116.82 -40.34 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.74 67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -110.35 125.36 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -62.6 167.99 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -112.48 80.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.07 -93.79 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 88.26 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.617 2.212 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.5 m -98.27 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -105.53 122.47 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.491 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -90.99 169.65 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -41.47 129.93 3.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 -112.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -71.6 84.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.66 177.14 17.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -117.64 82.85 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.69 107.38 3.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.46 135.98 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 -54.43 154.97 7.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p -68.03 -28.03 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -58.87 -31.33 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.77 44.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -111.18 159.92 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 m -120.08 133.05 55.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -108.13 117.41 34.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.01 142.03 13.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -175.24 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -48.74 122.46 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -135.06 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.477 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -160.41 175.88 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 55.79 42.1 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.81 178.31 17.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -114.88 82.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.96 84.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.69 -153.81 25.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 p -117.2 -44.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.393 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.22 -147.17 5.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -136.59 140.85 43.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -42.56 155.92 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 28' ' ' LEU . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 19' ' ' GLY . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 32' ' ' LEU . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' LYS . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p -107.51 39.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.6 -53.8 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LYS . 3.2 tp10 -86.53 -49.63 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLU . 17.3 tttt -34.37 -49.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -89.61 152.1 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m 61.01 38.21 17.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.4 -165.65 16.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 83.04 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -134.41 -46.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 t -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -160.2 106.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -92.21 141.53 28.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 53.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 m -157.62 129.11 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -132.05 165.43 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -97.43 -40.57 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 31.6 t -35.24 -58.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.7 99.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.16 101.85 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -72.53 155.09 91.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 32' ' ' LEU . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' PRO . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' ARG . 31.3 t -94.78 -44.71 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.7 ptm180 -33.62 137.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 53.19 40.1 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -61.88 147.15 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.0 m -40.27 -48.96 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -45.79 113.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 -153.68 21.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.79 68.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -99.46 129.23 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -157.86 135.66 10.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -101.4 81.05 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -71.0 103.48 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 94.13 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -135.49 146.79 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -85.41 -60.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.4 -92.49 1.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -56.77 118.67 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.82 53.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.2 110.13 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -147.03 155.2 47.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' N ' HD12 ' A' ' 34' ' ' LEU . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -82.19 40.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -117.43 -46.43 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.56 58.62 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.55 153.71 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 t -119.04 146.62 44.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 m -100.3 171.51 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.33 -78.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.78 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -157.42 137.1 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.2 t -72.66 83.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 42.78 42.28 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -87.72 169.33 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -151.84 8.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 54.84 42.67 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.922 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -54.16 118.52 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.64 -128.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -156.81 150.1 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.64 128.75 1.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.35 82.77 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -106.92 161.26 23.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.717 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 32' ' ' LEU . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m -84.45 32.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -88.24 124.22 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER 43.82 38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' SER . 5.1 tttm -61.45 102.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' LYS . 16.2 t 34.72 41.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 m -74.3 150.78 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.09 -109.64 3.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -56.28 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -65.54 130.03 41.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.03 151.46 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -124.48 42.2 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 -139.21 4.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t 69.23 42.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -63.49 -50.81 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.74 121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -79.98 135.82 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.45 94.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -91.67 92.56 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -113.7 156.54 43.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.73 -18.58 65.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -41.29 -59.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -98.77 -43.49 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -40.45 -34.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 10.8 t -93.31 89.01 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -97.58 123.9 41.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.64 155.73 20.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 t -71.45 97.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -84.63 -46.34 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.511 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -104.74 -56.7 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -156.32 126.52 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.8 51.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -84.84 -44.61 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -81.11 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.76 -136.53 2.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -124.5 129.62 50.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.29 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -85.11 41.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -126.63 159.25 64.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -106.38 70.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -120.79 -48.44 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -119.26 41.56 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -60.97 101.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -70.52 -58.28 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -108.5 144.79 35.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.24 149.49 42.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -84.09 115.58 22.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.8 p -99.48 167.16 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.506 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 69.3 p -37.73 -49.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -129.11 115.77 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.97 43.62 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -47.65 -61.2 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -71.18 -55.28 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -142.19 13.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -125.25 98.17 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.88 78.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -67.78 -43.51 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.9 160.63 0.16 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.633 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p -74.04 -25.6 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -36.48 -39.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.63 76.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -151.09 135.02 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 55.97 45.32 24.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.6 t -126.52 -60.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.94 64.8 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.38 34.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -105.97 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 m -129.65 147.9 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.069 -0.85 . . . . 0.0 112.531 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -157.6 110.22 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -152.33 146.76 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.01 -149.03 21.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -93.39 146.54 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -156.34 106.75 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.58 -163.77 11.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -115.05 42.17 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.962 0.411 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.81 -127.73 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -153.82 163.37 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -135.06 161.14 65.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' GLU . 6.4 m -90.12 -56.17 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 8.7 ptm180 -34.46 -35.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 7.5 tp10 -135.0 96.95 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' SER . 8.4 mtpp -109.98 176.12 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' LYS . 39.2 m -35.15 -58.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -115.98 44.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -59.56 -148.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.76 -178.08 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -43.35 120.84 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.0 m -91.47 175.21 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.5 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -95.7 123.24 39.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -127.57 147.85 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 -162.07 20.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -124.15 150.08 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -164.78 112.99 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.96 -147.14 4.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -133.47 177.15 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.06 71.01 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -98.42 44.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.45 157.38 65.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.684 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -133.52 43.88 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 3.3 ptp180 -121.08 -34.72 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 16.5 tt0 -134.11 53.2 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 146.4 50.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.6 p -156.59 146.57 21.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.33 110.19 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -70.7 -147.74 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.8 Cg_endo -69.75 -18.87 36.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 m -47.65 117.24 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -135.36 122.08 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -131.61 110.75 11.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -161.79 169.96 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.39 -159.93 26.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -116.45 157.81 24.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -143.99 151.31 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.05 -175.42 13.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -132.07 108.64 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.59 111.54 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.96 76.14 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -76.44 155.99 83.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -91.17 40.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.9 ptt180 -83.96 163.83 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ARG . 25.0 mt-10 34.44 37.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ARG . 19.3 tttp -117.28 -50.99 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 t -70.33 -44.67 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -75.52 115.14 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.84 124.56 7.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 159.08 54.66 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.1 p -124.39 41.31 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -124.07 42.32 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.53 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -40.9 137.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -143.07 171.49 14.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -160.04 31.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.92 107.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.13 89.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 114.97 5.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -110.17 43.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.06 91.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.99 51.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.96 159.43 72.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 32' ' ' LEU . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.664 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -110.91 50.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.7 ptm180 -104.86 -42.06 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 14.3 mt-10 -133.92 45.57 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -50.77 144.76 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -76.44 177.0 7.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.4 p -91.2 123.26 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 80.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.48 57.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 30.2 t -165.61 145.67 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 58.0 m -36.82 121.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -113.78 42.12 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.0 m -35.13 -47.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 162.98 32.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -119.54 41.38 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 45.78 42.08 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.91 46.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -126.52 41.88 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 116.82 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -85.86 52.66 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? -75.4 155.22 85.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.1 p -84.25 -50.89 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' SER . 13.0 ptt85 -33.77 131.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 72.15 37.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -80.87 159.23 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -54.74 117.41 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -47.42 128.37 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.95 158.78 24.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 86.35 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -107.31 112.05 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -75.4 142.33 43.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.524 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -77.44 108.49 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.21 42.21 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 126.19 3.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -83.1 41.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -51.77 171.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 126.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 m -58.96 -54.05 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.03 60.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 42.76 41.57 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.46 157.75 81.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 28' ' ' LEU . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' LEU . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -83.86 -50.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -40.41 -39.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.57 60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 40' ' ' SER . 1.6 pttm -115.74 -27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 33.7 t -44.47 -58.2 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' GLY . 20.5 m -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.96 72.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.45 68.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 66.2 m 42.35 41.23 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 22.0 m -36.74 105.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 49.28 42.29 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 m -69.53 174.73 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 -100.62 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -87.81 177.42 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.19 129.89 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 59.41 7.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -131.33 105.65 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.73 129.13 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.66 117.92 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -113.63 160.04 33.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.681 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.681 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m -82.68 38.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -99.41 -44.48 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -115.06 45.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -56.52 173.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -50.84 138.29 19.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 m -55.35 -44.58 76.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.59 143.06 10.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -112.63 -56.82 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -53.2 144.16 16.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.513 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -117.4 80.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -88.42 -52.42 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -164.61 12.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -160.12 137.74 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -44.58 123.23 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.43 54.57 31.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -161.5 115.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.42 -44.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 31.0 mt-10 -79.36 112.07 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 2.1 mpt_? -131.63 153.11 81.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.701 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.696 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.48 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.8 m -71.84 -40.15 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -92.14 45.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 36' ' ' SER . 20.3 mmmt -98.44 148.38 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -129.51 163.5 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m 60.09 47.48 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.69 169.93 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.28 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 t -130.97 115.29 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -112.46 41.65 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -153.81 142.15 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 m -103.83 -57.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.76 40.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.5 81.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -106.06 42.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.63 122.88 7.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -117.07 45.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.32 147.75 5.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.53 124.97 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.338 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -87.92 155.11 52.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m -106.94 42.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 7.5 ptm180 -95.95 -41.05 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 27.6 tt0 -71.2 -48.66 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -42.48 130.81 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 72.55 41.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -126.91 -47.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.11 -161.91 14.33 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HG2' ' C ' ' A' ' 46' ' ' GLY . 54.1 Cg_endo -69.79 159.84 51.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 -57.06 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.0 t -62.74 -60.07 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' HG2' ' A' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -50.83 153.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -95.09 -56.3 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -150.88 20.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -113.07 142.2 46.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.396 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -45.62 169.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.99 53.58 3.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -114.15 81.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.45 75.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.95 -35.31 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.97 160.75 0.24 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p -93.87 37.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -90.29 -41.11 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 16.0 pt-20 -100.85 -36.84 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.1 tttp -34.57 150.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -83.58 145.73 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -160.72 108.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.74 -152.05 38.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.24 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -103.72 -15.22 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.9 t 38.2 47.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.514 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 5.5 mmp_? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 12' ' ' PRO . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.634 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 28' ' ' LEU . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 19' ' ' GLY . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 32' ' ' LEU . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' LYS . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 32' ' ' LEU . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' PRO . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' N ' HD12 ' A' ' 34' ' ' LEU . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.717 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 32' ' ' LEU . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.9 m170 -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.633 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.684 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 32' ' ' LEU . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.664 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 16.9 m170 -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 28' ' ' LEU . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.578 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 8.4 m170 -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' LEU . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.681 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 16.3 m170 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.681 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.701 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.696 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -94.79 -54.81 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -172.97 120.42 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.23 -149.47 8.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -89.7 -58.09 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -54.19 138.17 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.42 -42.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 m -118.65 40.67 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.35 100.09 0.62 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -78.82 130.4 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 5.5 mmp_? -100.24 156.86 34.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 53.4 Cg_endo -69.76 -25.94 28.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.0 m-85 -122.67 160.26 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -153.98 145.37 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.1 t -90.9 130.29 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -83.72 -18.79 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.7 -58.75 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -116.65 -46.35 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.58 13.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.3 tptm -67.3 138.19 56.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.55 18.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 42.8 m-85 -139.04 162.09 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 12' ' ' PRO . . . -75.24 -50.65 8.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 12.2 mmt180 -100.38 168.86 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.3 tpt85 -71.65 -65.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -46.78 -31.87 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 48.0 m170 -61.99 -36.74 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.2 tp -85.84 -48.56 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.43 -43.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.15 90.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.4 t60 -56.1 -18.53 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.56 -21.77 19.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.52 -27.85 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -72.85 -4.08 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 -52.81 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.9 ptm85 -47.62 -50.54 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 2.1 pt-20 -103.09 42.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -88.67 -40.77 13.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 t -75.72 83.94 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.3 p -98.91 164.95 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.94 84.43 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.86 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.6 m -97.02 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -91.33 47.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -105.23 -22.13 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.87 44.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -93.65 83.78 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -174.25 163.3 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.81 157.2 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.8 p -118.58 43.09 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.89 144.25 5.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -96.95 39.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 -75.08 156.56 85.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -28.34 24.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 5.4 m-85 -115.06 162.29 17.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 44.3 tttt -153.05 153.91 33.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 30.0 t -94.27 125.17 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -84.27 27.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -119.36 -57.15 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -113.29 -44.27 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.94 20.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 13.7 tptm -72.03 158.85 35.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.18 140.56 11.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 19.7 m-85 -137.5 166.4 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.89 -48.36 4.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 2.5 mmp_? -96.81 149.86 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.6 tpt180 -59.26 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -52.93 -34.67 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 41.2 m170 -59.81 -35.54 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.634 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -86.01 -45.72 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -40.01 -42.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.47 -33.7 82.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.8 t60 -59.15 -18.58 37.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -92.64 -31.72 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -48.85 -33.93 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.4 -33.55 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-70 -59.95 -32.58 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 p -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -116.82 -40.34 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.74 67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -110.35 125.36 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -62.6 167.99 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -112.48 80.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.07 -93.79 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 88.26 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.617 2.212 . . . . 0.0 112.358 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.5 m -98.27 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -105.53 122.47 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.491 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -90.99 169.65 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -41.47 129.93 3.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 -112.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -71.6 84.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.66 177.14 17.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -117.64 82.85 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.69 107.38 3.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.46 135.98 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 22' ' ' PHE . 27.4 mmt85 -54.43 154.97 7.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.0 28.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.631 2.221 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 28' ' ' LEU . 94.5 m-85 -133.4 162.75 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -155.1 163.38 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 46.0 t -104.31 126.28 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.52 -16.18 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.23 -58.16 4.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -114.66 -47.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.37 16.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.96 129.72 38.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.94 140.27 16.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 5.3 m-85 -123.93 173.7 8.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.9 -47.76 4.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.539 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 77.4 mtt-85 -99.8 155.94 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 tmm_? -63.42 -63.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 p -51.27 -30.17 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 11.1 m170 -63.06 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.7 tp -83.91 -46.35 12.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.39 -35.46 76.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.8 t60 -58.11 -20.83 43.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.34 -26.31 18.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -58.73 -31.91 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -77.41 -31.14 53.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.1 m-70 -60.25 -31.09 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 p -68.03 -28.03 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -58.87 -31.33 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.77 44.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -111.18 159.92 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 m -120.08 133.05 55.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.1 p -108.13 117.41 34.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.01 142.03 13.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -175.24 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.252 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -48.74 122.46 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -135.06 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.477 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -160.41 175.88 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 55.79 42.1 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.81 178.31 17.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -114.88 82.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.96 84.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.69 -153.81 25.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 p -117.2 -44.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.393 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.22 -147.17 5.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -136.59 140.85 43.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -42.56 155.92 0.25 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.65 29.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 28' ' ' LEU . 54.8 m-85 -134.09 166.86 21.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 19' ' ' GLY . 3.5 tppp? -156.32 151.31 26.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 32' ' ' LEU . 36.8 t -89.41 125.08 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -85.7 26.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.12 -55.6 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -114.41 -44.41 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 14' ' ' LYS . . . 125.49 31.9 0.81 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 16.6 tppt? -93.16 141.79 28.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.36 152.12 17.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 15.8 m-85 -136.42 157.99 45.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.61 -38.71 36.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 37.5 mtp180 -107.22 146.93 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 1.5 tpt180 -58.46 -61.68 2.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -52.28 -34.51 46.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 6.0 m170 -58.05 -33.43 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.2 tp -84.49 -48.32 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -35.91 -42.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.86 87.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.3 t60 -55.7 -21.15 17.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.75 -28.5 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -52.68 -34.99 54.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -74.52 -31.86 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' N ' HD12 ' A' ' 34' ' ' LEU . 17.6 m-70 -60.7 -35.38 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.8 p -107.51 39.53 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.6 -53.8 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' LYS . 3.2 tp10 -86.53 -49.63 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLU . 17.3 tttt -34.37 -49.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -89.61 152.1 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m 61.01 38.21 17.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.4 -165.65 16.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 83.04 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.3 p -134.41 -46.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 t -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -160.2 106.33 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -92.21 141.53 28.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 53.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 m -157.62 129.11 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -132.05 165.43 24.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -97.43 -40.57 3.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 31.6 t -35.24 -58.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.7 99.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -73.16 101.85 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -72.53 155.09 91.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 54.0 Cg_endo -69.71 -49.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 13.6 m-85 -103.01 171.99 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -156.59 147.54 21.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 32' ' ' LEU . 19.1 t -92.23 132.52 36.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -87.37 -19.65 27.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.89 -44.99 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.93 18.07 1.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -65.63 159.08 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.74 140.9 12.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 15.7 m-85 -135.39 160.71 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' PRO . . . -78.98 -42.94 11.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 59.3 mtt180 -104.88 154.15 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 5.2 tpt85 -62.66 -62.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -50.31 -29.95 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 9.2 m170 -63.68 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.811 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.3 tp -84.69 -46.49 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.17 -42.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.31 -35.71 77.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 t60 -58.12 -22.1 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -89.91 -31.28 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -48.18 -37.01 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -75.49 -30.33 59.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-70 -64.2 -18.5 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' ARG . 31.3 t -94.78 -44.71 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.7 ptm180 -33.62 137.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 53.19 40.1 30.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -61.88 147.15 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.0 m -40.27 -48.96 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.796 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -45.79 113.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.16 -153.68 21.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.79 68.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.262 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -99.46 129.23 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -157.86 135.66 10.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.497 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -101.4 81.05 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -71.0 103.48 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.76 94.13 0.31 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -135.49 146.79 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -85.41 -60.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.4 -92.49 1.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.4 t -56.77 118.67 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.82 53.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -66.2 110.13 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -147.03 155.2 47.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.2 Cg_endo -69.83 -27.47 26.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 91.3 m-85 -129.71 159.36 36.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 16.3 tttm -153.69 155.03 35.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t -99.42 137.01 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -89.8 -22.17 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.27 -58.24 9.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.42 -45.36 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.72 19.87 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 25.0 tptt -63.3 160.97 14.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.69 142.92 14.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 55.1 m-85 -142.66 168.17 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -96.13 -40.58 3.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -101.41 154.47 18.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -63.34 -58.21 7.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 m -57.74 -28.73 64.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -62.89 -38.06 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -84.82 -47.94 9.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.42 -42.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.62 90.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.2 t60 -55.06 -20.99 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -92.57 -21.77 19.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -60.89 -30.79 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -79.86 -29.92 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' N ' HD12 ' A' ' 34' ' ' LEU . 15.6 m-70 -59.02 -37.59 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.788 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -82.19 40.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -117.43 -46.43 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -94.56 58.62 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.55 153.71 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 t -119.04 146.62 44.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 m -100.3 171.51 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.33 -78.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.78 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -157.42 137.1 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.2 t -72.66 83.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 42.78 42.28 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -87.72 169.33 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -151.84 8.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 54.84 42.67 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.922 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -54.16 118.52 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.64 -128.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -156.81 150.1 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.64 128.75 1.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.35 82.77 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -106.92 161.26 23.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.732 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.69 23.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.717 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.9 m-85 -123.23 166.58 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -154.31 153.65 32.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 32' ' ' LEU . 39.7 t -93.03 123.65 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.15 25.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -115.45 -56.55 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.48 -44.94 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.43 23.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' GLY . 15.5 tppt? -75.56 159.22 31.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.87 141.32 12.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 22.2 m-85 -133.56 163.85 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.69 -39.47 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 68.0 mtt85 -104.95 146.04 29.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -57.09 -61.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -51.67 -34.94 40.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.9 m170 -59.43 -35.45 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 13' ' ' PHE . 6.7 tp -83.86 -48.11 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.61 -39.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.64 77.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 76.9 t60 -59.62 -20.56 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -93.04 -28.07 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.24 -29.3 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -80.57 -30.61 36.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -59.53 -38.5 81.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.4 m -84.45 32.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -88.24 124.22 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER 43.82 38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' SER . 5.1 tttm -61.45 102.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' LYS . 16.2 t 34.72 41.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 m -74.3 150.78 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.09 -109.64 3.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.96 47.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -74.02 -56.28 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.7 t -65.54 130.03 41.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.816 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -113.03 151.46 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -124.48 42.2 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 -139.21 4.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t 69.23 42.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -63.49 -50.81 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.74 121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -79.98 135.82 36.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.974 0.416 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.45 94.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -91.67 92.56 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -113.7 156.54 43.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 53.5 Cg_endo -69.77 -26.0 27.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.264 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.1 m-85 -129.46 162.9 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 25.0 ttmt -152.49 167.25 29.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 41.7 t -107.03 124.11 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -84.04 22.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.88 -55.19 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -114.97 -42.79 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.74 22.07 1.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 22.1 tptp -75.54 158.71 32.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.12 9.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.6 m-85 -133.89 164.25 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -90.51 -40.08 5.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 6.9 mpt_? -96.24 135.56 37.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -51.58 -47.28 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -65.56 -36.88 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 10.6 m170 -56.06 -37.27 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 13' ' ' PHE . 13.2 tp -83.29 -50.47 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -37.39 -41.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.1 -35.98 79.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 76.7 t60 -58.65 -20.84 51.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.6 -28.0 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -57.21 -29.76 63.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.5 pp -80.61 -22.77 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -69.38 -36.19 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.73 -18.58 65.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -41.29 -59.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -98.77 -43.49 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -40.45 -34.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 10.8 t -93.31 89.01 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -97.58 123.9 41.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.64 155.73 20.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 t -71.45 97.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -84.63 -46.34 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.511 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -104.74 -56.7 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -156.32 126.52 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.8 51.89 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -84.84 -44.61 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -81.11 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.76 -136.53 2.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -124.5 129.62 50.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.29 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -85.11 41.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -126.63 159.25 64.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -31.64 19.63 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.636 2.224 . . . . 0.0 112.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.2 m-85 -122.07 166.81 13.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 27.5 tttp -154.22 157.42 38.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 7.2 t -98.71 145.79 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -95.75 -27.23 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.4 mm-40 -57.69 -57.66 11.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.71 -43.12 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 128.27 17.78 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.1 tppt? -61.35 159.59 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.5 143.98 15.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.1 m-85 -140.28 166.21 25.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.382 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.6 -47.79 4.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 69.2 mtp85 -97.69 152.15 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 2.7 tmm_? -61.67 -56.89 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.7 p -55.14 -33.05 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 12.2 m170 -62.08 -37.27 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.0 tp -82.51 -50.68 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.58 -42.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.81 -36.25 86.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.0 t60 -57.03 -21.89 34.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.22 -26.14 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -53.19 -34.78 58.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -77.03 -31.94 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.1 m-70 -59.09 -39.04 80.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -106.38 70.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -120.79 -48.44 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -119.26 41.56 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -60.97 101.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 t -70.52 -58.28 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -108.5 144.79 35.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.24 149.49 42.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.8 t -84.09 115.58 22.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.8 p -99.48 167.16 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.506 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 69.3 p -37.73 -49.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -129.11 115.77 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.97 43.62 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -47.65 -61.2 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -71.18 -55.28 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -142.19 13.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -125.25 98.17 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.88 78.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -67.78 -43.51 79.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.9 160.63 0.16 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -25.28 29.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 83.6 m-85 -130.65 167.58 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -156.2 152.19 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.2 t -92.81 121.73 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.23 28.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -117.57 -59.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -110.91 -46.34 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.76 31.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -96.27 128.9 43.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.66 139.21 15.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.3 m-85 -120.78 173.96 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.66 -43.42 4.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 47.5 mtp180 -98.31 150.64 21.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -61.82 -59.46 5.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -57.11 -27.74 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 4.5 m170 -62.79 -43.04 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.678 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.1 tp -78.57 -45.29 22.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.45 -40.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.58 -33.88 67.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 73.2 t60 -60.18 -19.51 54.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.87 -31.53 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.34 -36.51 32.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.9 pp -72.29 -35.22 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.633 ' N ' HD12 ' A' ' 34' ' ' LEU . 21.5 m-70 -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.6 p -74.04 -25.6 59.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 ptt85 -36.48 -39.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.63 76.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -151.09 135.02 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m 55.97 45.32 24.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.6 t -126.52 -60.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.94 64.8 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.38 34.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -105.97 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 m -129.65 147.9 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.069 -0.85 . . . . 0.0 112.531 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -157.6 110.22 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -152.33 146.76 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.01 -149.03 21.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -93.39 146.54 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -156.34 106.75 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.58 -163.77 11.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -115.05 42.17 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.962 0.411 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.81 -127.73 3.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -153.82 163.37 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -135.06 161.14 65.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.63 7.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 23.8 m-85 -113.01 159.03 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -154.72 150.31 27.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -94.62 138.75 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.64 -22.73 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -58.31 -54.93 41.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -121.13 -42.69 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.01 23.68 1.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 27.5 tptp -66.4 163.8 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.79 140.32 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 61.8 m-85 -138.45 169.18 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.5 -48.78 4.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 13.0 mmt85 -100.24 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 2.0 tpt180 -68.77 -65.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.0 t -46.94 -32.31 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 24' ' ' ARG . 56.7 m170 -60.21 -37.88 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -83.51 -47.44 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.7 -41.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.7 81.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 74.4 t60 -56.82 -21.11 26.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.04 -26.34 19.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -55.43 -32.8 63.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.6 pp -80.06 -19.38 47.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.2 m-70 -74.49 -21.98 59.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' GLU . 6.4 m -90.12 -56.17 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 8.7 ptm180 -34.46 -35.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 7.5 tp10 -135.0 96.95 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' SER . 8.4 mtpp -109.98 176.12 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' LYS . 39.2 m -35.15 -58.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -115.98 44.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -59.56 -148.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.76 -178.08 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -43.35 120.84 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.0 m -91.47 175.21 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.5 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -95.7 123.24 39.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -127.57 147.85 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 -162.07 20.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -124.15 150.08 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -164.78 112.99 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.96 -147.14 4.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -133.47 177.15 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.06 71.01 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -98.42 44.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.45 157.38 65.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 53.7 Cg_endo -69.85 -31.37 20.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 66.9 m-85 -123.71 162.87 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -156.12 152.31 27.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 13.1 t -97.69 136.53 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -90.01 -21.68 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.45 -57.24 12.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.25 -45.15 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 129.73 20.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 14.9 tppt? -64.98 159.76 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -137.98 142.93 13.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 49.2 m-85 -140.86 172.37 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' CG ' ' A' ' 12' ' ' PRO . . . -93.45 -46.89 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 35.2 mmt180 -98.96 158.82 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.886 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.684 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.18 -53.31 46.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.0 p -58.51 -31.08 67.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 60.7 m170 -61.84 -40.2 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.4 tp -82.41 -46.65 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -39.19 -40.21 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.81 -34.5 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 78.0 t60 -59.93 -22.89 63.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -89.8 -23.78 21.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 34' ' ' LEU . 4.3 pp -82.89 -17.06 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -75.79 -15.92 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -133.52 43.88 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 3.3 ptp180 -121.08 -34.72 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 16.5 tt0 -134.11 53.2 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 146.4 50.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.6 p -156.59 146.57 21.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -67.33 110.19 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -70.7 -147.74 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.8 Cg_endo -69.75 -18.87 36.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 m -47.65 117.24 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -135.36 122.08 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -131.61 110.75 11.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -161.79 169.96 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.39 -159.93 26.39 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -116.45 157.81 24.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -143.99 151.31 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.05 -175.42 13.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -132.07 108.64 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.59 111.54 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -87.96 76.14 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -76.44 155.99 83.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -25.25 28.98 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 33.9 m-85 -125.66 170.08 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.1 tttm -156.06 153.19 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 23.3 t -94.42 125.78 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -84.02 28.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.03 -59.26 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -110.88 -44.92 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.25 23.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -87.24 129.11 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.97 140.8 16.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 3.9 m-85 -122.79 172.51 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.05 -45.67 5.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -100.25 148.77 24.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.07 -61.14 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -52.67 -32.35 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -62.11 -39.2 91.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.2 tp -81.75 -47.95 12.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -37.0 -42.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.89 -36.68 87.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 67.6 t60 -56.59 -19.35 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.57 -26.9 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -55.13 -32.98 62.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.0 -23.43 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -71.25 -35.1 71.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -91.17 40.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' GLU . 21.9 ptt180 -83.96 163.83 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ARG . 25.0 mt-10 34.44 37.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 37' ' ' ARG . 19.3 tttp -117.28 -50.99 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.1 t -70.33 -44.67 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -75.52 115.14 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.84 124.56 7.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 159.08 54.66 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.1 p -124.39 41.31 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -124.07 42.32 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.53 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -40.9 137.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -143.07 171.49 14.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -160.04 31.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.92 107.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.13 89.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 114.97 5.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -110.17 43.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.06 91.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.99 51.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.96 159.43 72.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -30.56 22.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 90.3 m-85 -126.43 168.19 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -156.11 152.21 27.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 32' ' ' LEU . 5.2 t -98.16 140.88 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.16 -24.25 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -57.66 -57.57 12.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.87 -43.32 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 126.69 25.3 1.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 11.1 tppt? -72.73 159.73 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -135.87 146.03 18.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 29.5 m-85 -142.84 159.56 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.65 -38.13 12.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -103.16 143.88 32.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 3.3 tmm_? -56.83 -55.16 37.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 t -57.24 -34.18 68.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -60.29 -37.17 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.0 tp -81.73 -52.35 7.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.06 -43.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD ' ' A' ' 33' ' ' ARG . . . -67.84 -37.26 88.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.0 t60 -55.63 -20.81 15.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -91.38 -26.54 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' CD ' ' HA2' ' A' ' 30' ' ' GLY . 22.1 mtp180 -52.9 -34.7 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -75.74 -31.8 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.664 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.6 m-70 -60.7 -30.9 70.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -110.91 50.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 5.7 ptm180 -104.86 -42.06 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 14.3 mt-10 -133.92 45.57 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -50.77 144.76 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -76.44 177.0 7.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.4 p -91.2 123.26 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 80.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.48 57.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 30.2 t -165.61 145.67 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 58.0 m -36.82 121.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -113.78 42.12 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.0 m -35.13 -47.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 162.98 32.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -119.54 41.38 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 45.78 42.08 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.91 46.72 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -126.52 41.88 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.01 116.82 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -85.86 52.66 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 14.0 mmp_? -75.4 155.22 85.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.4 4.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB3' HD22 ' A' ' 28' ' ' LEU . 4.9 m-85 -104.55 164.35 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CE ' ' HA2' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.01 143.23 19.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 32' ' ' LEU . 53.4 t -87.68 122.67 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -79.89 -12.07 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.09 -58.67 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -116.53 -42.6 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 130.87 10.82 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -74.66 121.88 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.73 147.64 18.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 1.4 m-85 -129.21 173.39 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.03 -41.33 7.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -100.95 154.43 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -62.84 -69.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 p -47.79 -28.99 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 24' ' ' ARG . 16.9 m170 -62.18 -36.87 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 32' ' ' LEU . 8.2 tp -85.66 -42.63 14.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.29 -42.17 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.59 71.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -64.17 -20.31 65.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.97 -22.64 19.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -57.77 -31.48 66.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -79.4 -21.43 45.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.2 m-70 -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' ARG . 35.1 p -84.25 -50.89 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' SER . 13.0 ptt85 -33.77 131.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 72.15 37.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -80.87 159.23 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -54.74 117.41 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -47.42 128.37 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.95 158.78 24.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 86.35 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -107.31 112.05 24.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.7 p -75.4 142.33 43.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.524 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -77.44 108.49 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 61.21 42.21 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.79 126.19 3.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -83.1 41.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -51.77 171.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 126.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 m -58.96 -54.05 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.03 60.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 42.76 41.57 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -66.46 157.75 81.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.33 24.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' HB3' HD22 ' A' ' 28' ' ' LEU . 35.2 m-85 -125.29 164.51 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -154.66 147.92 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 32' ' ' LEU . 43.5 t -87.75 122.96 32.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -83.55 23.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -113.74 -58.33 2.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.66 -45.05 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.88 24.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 43.9 tptt -75.78 164.2 26.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.66 141.79 11.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 26.6 m-85 -137.61 164.63 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.02 -35.69 7.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.578 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -105.11 147.27 28.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -60.6 -53.07 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.2 t -60.38 -29.28 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 24' ' ' ARG . 8.4 m170 -63.63 -44.1 94.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.5 tp -76.85 -45.52 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -41.32 -40.01 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.86 -33.34 70.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 72.8 t60 -61.88 -18.84 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.17 -22.74 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 10.7 mtp-105 -56.85 -28.64 61.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.4 pp -83.69 -20.71 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' LEU . 22.0 m-70 -74.8 -22.71 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -83.86 -50.57 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -40.41 -39.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -119.57 60.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 40' ' ' SER . 1.6 pttm -115.74 -27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 33.7 t -44.47 -58.2 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' GLY . 20.5 m -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.96 72.1 0.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.45 68.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' SER . 66.2 m 42.35 41.23 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 44' ' ' SER . 22.0 m -36.74 105.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 49.28 42.29 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 m -69.53 174.73 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.64 -100.62 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -87.81 177.42 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -129.19 129.89 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 59.41 7.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 t -131.33 105.65 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.73 129.13 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.66 117.92 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -113.63 160.04 33.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 54.2 Cg_endo -69.74 -39.33 6.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 24.5 m-85 -117.56 166.58 12.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 15' ' ' CYS . 20.9 tptt -153.59 151.34 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.3 t -98.75 138.03 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.8 -22.64 20.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.12 -57.81 11.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.56 -45.09 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . . . 129.02 22.62 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 10.9 tppt? -82.25 141.0 33.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.53 149.97 17.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 36.6 m-85 -135.65 169.36 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 12' ' ' PRO . . . -86.66 -46.56 5.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 49.3 mtt-85 -98.19 158.08 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.681 ' NH1' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -65.5 -62.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.9 p -51.7 -29.93 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 16.3 m170 -61.61 -42.02 98.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.2 tp -78.5 -50.12 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.681 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -37.91 -42.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.16 -35.58 83.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 77.0 t60 -58.84 -20.89 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.63 -26.79 18.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -57.1 -31.72 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 34' ' ' LEU . 4.3 pp -79.0 -27.09 43.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' N ' HD12 ' A' ' 34' ' ' LEU . 16.8 m-70 -63.58 -37.96 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 m -82.68 38.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -99.41 -44.48 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -115.06 45.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -56.52 173.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -50.84 138.29 19.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 m -55.35 -44.58 76.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -147.59 143.06 10.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -112.63 -56.82 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -53.2 144.16 16.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.513 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -117.4 80.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -88.42 -52.42 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -164.61 12.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -160.12 137.74 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -44.58 123.23 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.43 54.57 31.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -161.5 115.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.42 -44.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 11' ' ' ARG . 31.0 mt-10 -79.36 112.07 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 2.1 mpt_? -131.63 153.11 81.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.34 6.62 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -113.47 163.33 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -156.35 144.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 25.6 t -93.17 131.31 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -86.43 -18.98 30.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.8 -57.41 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.21 -46.28 2.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.26 23.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 3.3 tppp? -75.17 154.98 37.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.27 143.65 15.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 58.0 m-85 -136.55 162.83 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.86 -44.93 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' CG ' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mmm-85 -107.31 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 3.0 tpt85 -63.65 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 49.4 m -44.2 -34.03 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 60.2 m170 -60.63 -41.2 94.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.701 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.3 tp -80.08 -47.1 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -39.68 -43.05 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.58 -32.52 74.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 75.1 t60 -61.17 -21.34 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -91.47 -27.53 18.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 9.1 mtp-105 -53.76 -32.9 54.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.6 pp -78.79 -31.99 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.696 ' N ' HD12 ' A' ' 34' ' ' LEU . 18.5 m-70 -58.36 -38.29 76.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.48 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.8 m -71.84 -40.15 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -92.14 45.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 36' ' ' SER . 20.3 mmmt -98.44 148.38 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -129.51 163.5 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m 60.09 47.48 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.69 169.93 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.28 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 t -130.97 115.29 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -112.46 41.65 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -153.81 142.15 20.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 m -103.83 -57.76 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.76 40.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -73.5 81.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -106.06 42.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.63 122.88 7.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -117.07 45.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.32 147.75 5.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -116.53 124.97 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.338 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -87.92 155.11 52.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.01 11.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 25' ' ' ARG . 32.1 m-85 -116.49 162.96 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 14.3 tttp -155.85 156.02 33.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 2.5 t -100.69 148.74 24.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -97.6 -28.5 13.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.89 -58.0 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.17 -42.59 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 124.02 26.14 1.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' CG ' ' CE1' ' A' ' 22' ' ' PHE . 15.0 tppt? -69.76 159.7 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -131.33 144.52 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CE1' ' CG ' ' A' ' 20' ' ' LYS . 74.4 m-85 -144.36 160.08 41.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.65 -39.57 6.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 95.5 mtt180 -98.83 149.0 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.55 -53.09 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.7 t -61.95 -30.34 70.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 24' ' ' ARG . 7.4 m170 -61.06 -38.61 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.59 ' O ' HD22 ' A' ' 32' ' ' LEU . 11.6 tp -81.46 -50.88 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LEU . . . -36.33 -43.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.34 -36.97 85.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.9 t60 -56.34 -19.09 12.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.42 -27.75 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -51.77 -36.03 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.2 pp -73.99 -34.05 64.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 34' ' ' LEU . 20.0 m-70 -58.36 -35.58 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 m -106.94 42.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 38' ' ' GLU . 7.5 ptm180 -95.95 -41.05 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 27.6 tt0 -71.2 -48.66 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -42.48 130.81 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 72.55 41.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -126.91 -47.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.11 -161.91 14.33 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HG2' ' C ' ' A' ' 46' ' ' GLY . 54.1 Cg_endo -69.79 159.84 51.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 -57.06 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.0 t -62.74 -60.07 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' C ' ' HG2' ' A' ' 43' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -50.83 153.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -95.09 -56.3 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -150.88 20.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -113.07 142.2 46.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.396 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -45.62 169.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.99 53.58 3.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -114.15 81.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.45 75.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.95 -35.31 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.97 160.75 0.24 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -32.79 18.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.399 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -121.47 162.38 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 33.2 tttp -151.49 152.27 32.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 20.0 t -93.19 143.9 25.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -94.16 -25.82 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.37 -57.41 12.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.1 -44.66 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 131.61 12.44 1.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 22' ' ' PHE . 12.2 tptp -52.32 163.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -134.94 149.29 19.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 66.7 m-85 -151.07 163.42 38.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.97 -40.94 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -107.6 153.19 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 1.1 tpt180 -60.36 -65.42 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -46.81 -31.25 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -65.54 -37.16 85.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.725 ' O ' HD22 ' A' ' 32' ' ' LEU . 9.7 tp -85.24 -44.66 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -42.14 -42.8 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.85 -33.43 84.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 69.5 t60 -61.96 -19.02 62.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.85 -18.43 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 9.4 mtp-105 -62.48 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 35' ' ' HIS . 4.0 pp -80.93 -28.4 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 34' ' ' LEU . 19.3 m-70 -64.05 -34.09 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.5 p -93.87 37.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -90.29 -41.11 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' LYS . 16.0 pt-20 -100.85 -36.84 8.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' GLU . 16.1 tttp -34.57 150.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -83.58 145.73 28.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -160.72 108.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.815 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.74 -152.05 38.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.24 1.81 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -103.72 -15.22 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.9 t 38.2 47.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.514 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_